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7-chloro-2-[3-ethyl-4-(propan-2-yl)piperazine-1-carbonyl]-1-methyl-1H-indole

ChemBase ID: 322117
Molecular Formular: C19H26ClN3O
Molecular Mass: 347.88224
Monoisotopic Mass: 347.17644015
SMILES and InChIs

SMILES:
c1(n(c2c(c1)cccc2Cl)C)C(=O)N1CC(N(CC1)C(C)C)CC
Canonical SMILES:
CCC1CN(CCN1C(C)C)C(=O)c1cc2c(n1C)c(Cl)ccc2
InChI:
InChI=1S/C19H26ClN3O/c1-5-15-12-22(9-10-23(15)13(2)3)19(24)17-11-14-7-6-8-16(20)18(14)21(17)4/h6-8,11,13,15H,5,9-10,12H2,1-4H3
InChIKey:
GKSWCELAEIVZQK-UHFFFAOYSA-N

Cite this record

CBID:322117 http://www.chembase.cn/molecule-322117.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-2-[3-ethyl-4-(propan-2-yl)piperazine-1-carbonyl]-1-methyl-1H-indole
IUPAC Traditional name
7-chloro-2-(3-ethyl-4-isopropylpiperazine-1-carbonyl)-1-methylindole
Synonyms
7-chloro-2-[(3-ethyl-4-isopropyl-1-piperazinyl)carbonyl]-1-methyl-1H-indole

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11243511 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.2625514  LogD (pH = 7.4) 3.019807 
Log P 3.6773221  Molar Refractivity 99.7556 cm3
Polarizability 39.38948 Å3 Polar Surface Area 28.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.8  LOG S -4.13 
Polar Surface Area 28.48 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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