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1-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine

ChemBase ID: 866035
Molecular Formular: C20H25N3O3
Molecular Mass: 355.4308
Monoisotopic Mass: 355.18959168
SMILES and InChIs

SMILES:
c1(n(ccn1)C)C1CCN(C(=O)C2Cc3c(OC2)c(OC)ccc3)CC1
Canonical SMILES:
COc1cccc2c1OCC(C2)C(=O)N1CCC(CC1)c1nccn1C
InChI:
InChI=1S/C20H25N3O3/c1-22-11-8-21-19(22)14-6-9-23(10-7-14)20(24)16-12-15-4-3-5-17(25-2)18(15)26-13-16/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3
InChIKey:
YGITWJGXFDHNRY-UHFFFAOYSA-N

Cite this record

CBID:866035 http://www.chembase.cn/molecule-866035.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
IUPAC Traditional name
1-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)-4-(1-methylimidazol-2-yl)piperidine
Synonyms
1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)carbonyl]-4-(1-methyl-1H-imidazol-2-yl)piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.9635047  LogD (pH = 7.4) 1.6267614 
Log P 1.6593949  Molar Refractivity 98.6849 cm3
Polarizability 38.02392 Å3 Polar Surface Area 56.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.67  LOG S -3.22 
Polar Surface Area 56.59 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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