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N-{[3-methyl-7-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}thiophene-2-carboxamide

ChemBase ID: 340515
Molecular Formular: C26H24N4O3S
Molecular Mass: 472.55876
Monoisotopic Mass: 472.15691165
SMILES and InChIs

SMILES:
c1(C(=O)N2Cc3c(c(CNC(=O)c4sccc4)c(nc3)C)CC2)c(noc1C)c1ccccc1
Canonical SMILES:
Cc1ncc2c(c1CNC(=O)c1cccs1)CCN(C2)C(=O)c1c(C)onc1c1ccccc1
InChI:
InChI=1S/C26H24N4O3S/c1-16-21(14-28-25(31)22-9-6-12-34-22)20-10-11-30(15-19(20)13-27-16)26(32)23-17(2)33-29-24(23)18-7-4-3-5-8-18/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,28,31)
InChIKey:
VOKHPBNQOQYGSD-UHFFFAOYSA-N

Cite this record

CBID:340515 http://www.chembase.cn/molecule-340515.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[3-methyl-7-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}thiophene-2-carboxamide
IUPAC Traditional name
N-{[3-methyl-7-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl}thiophene-2-carboxamide
Synonyms
N-({3-methyl-7-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-thiophenecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13886622 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.066339  H Acceptors
H Donor LogD (pH = 5.5) 3.0873556 
LogD (pH = 7.4) 3.255478  Log P 3.2581508 
Molar Refractivity 132.1201 cm3 Polarizability 50.054142 Å3
Polar Surface Area 88.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.65  LOG S -6.82 
Polar Surface Area 88.33 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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