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2-cyclopropyl-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3-benzoxazole-6-carboxamide

ChemBase ID: 340510
Molecular Formular: C20H22N4O2
Molecular Mass: 350.41428
Monoisotopic Mass: 350.17427596
SMILES and InChIs

SMILES:
c1(nc2c(o1)cc(C(=O)N(Cc1n[nH]c3c1CCCC3)C)cc2)C1CC1
Canonical SMILES:
CN(C(=O)c1ccc2c(c1)oc(n2)C1CC1)Cc1n[nH]c2c1CCCC2
InChI:
InChI=1S/C20H22N4O2/c1-24(11-17-14-4-2-3-5-15(14)22-23-17)20(25)13-8-9-16-18(10-13)26-19(21-16)12-6-7-12/h8-10,12H,2-7,11H2,1H3,(H,22,23)
InChIKey:
ZHDZYGNJWKOQED-UHFFFAOYSA-N

Cite this record

CBID:340510 http://www.chembase.cn/molecule-340510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclopropyl-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3-benzoxazole-6-carboxamide
IUPAC Traditional name
2-cyclopropyl-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3-benzoxazole-6-carboxamide
Synonyms
2-cyclopropyl-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3-benzoxazole-6-carboxamide

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)
Polar Surface Area 75.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 15.421097 
H Acceptors H Donor
LogD (pH = 5.5) 2.8470805  LogD (pH = 7.4) 2.8471942 
Log P 2.8471956  Molar Refractivity 98.7263 cm3
Polarizability 37.938866 Å3
Polar Surface Area 75.02 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 2.29  LOG S -5.08 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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