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7-(7-chloro-1-methyl-1H-indole-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

ChemBase ID: 510084
Molecular Formular: C17H18ClN3O3
Molecular Mass: 347.79612
Monoisotopic Mass: 347.10366913
SMILES and InChIs

SMILES:
c1(n(c2c(c1)cccc2Cl)C)C(=O)N1CC2(OC(=O)N(C2)C)CC1
Canonical SMILES:
O=C1OC2(CN1C)CCN(C2)C(=O)c1cc2c(n1C)c(Cl)ccc2
InChI:
InChI=1S/C17H18ClN3O3/c1-19-9-17(24-16(19)23)6-7-21(10-17)15(22)13-8-11-4-3-5-12(18)14(11)20(13)2/h3-5,8H,6-7,9-10H2,1-2H3
InChIKey:
PBGBYCXUIUOXIX-UHFFFAOYSA-N

Cite this record

CBID:510084 http://www.chembase.cn/molecule-510084.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(7-chloro-1-methyl-1H-indole-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
IUPAC Traditional name
7-(7-chloro-1-methylindole-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
Synonyms
7-[(7-chloro-1-methyl-1H-indol-2-yl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40468990 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)
H Acceptors H Donor
LogD (pH = 5.5) 1.6829977  LogD (pH = 7.4) 1.6829977 
Log P 1.6829977  Molar Refractivity 89.9964 cm3
Polarizability 35.380238 Å3 Polar Surface Area 54.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.5  LOG S -2.16 
Polar Surface Area 54.78 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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