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N'-cycloheptyl-N-(1H-indol-4-ylmethyl)butanediamide

ChemBase ID: 510245
Molecular Formular: C20H27N3O2
Molecular Mass: 341.44728
Monoisotopic Mass: 341.21032712
SMILES and InChIs

SMILES:
c12c([nH]cc1)cccc2CNC(=O)CCC(=O)NC1CCCCCC1
Canonical SMILES:
O=C(NCc1cccc2c1cc[nH]2)CCC(=O)NC1CCCCCC1
InChI:
InChI=1S/C20H27N3O2/c24-19(10-11-20(25)23-16-7-3-1-2-4-8-16)22-14-15-6-5-9-18-17(15)12-13-21-18/h5-6,9,12-13,16,21H,1-4,7-8,10-11,14H2,(H,22,24)(H,23,25)
InChIKey:
QNLNNYDIPADOJI-UHFFFAOYSA-N

Cite this record

CBID:510245 http://www.chembase.cn/molecule-510245.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-cycloheptyl-N-(1H-indol-4-ylmethyl)butanediamide
IUPAC Traditional name
N'-cycloheptyl-N-(1H-indol-4-ylmethyl)succinamide
Synonyms
N-cycloheptyl-N'-(1H-indol-4-ylmethyl)succinamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40496203 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.484657  H Acceptors
H Donor LogD (pH = 5.5) 2.5020583 
LogD (pH = 7.4) 2.5020583  Log P 2.5020583 
Molar Refractivity 98.2891 cm3 Polarizability 39.321297 Å3
Polar Surface Area 73.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.05  LOG S -4.29 
Polar Surface Area 73.99 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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