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3-(2,3-dihydro-1H-inden-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

ChemBase ID: 322007
Molecular Formular: C16H19N3O2
Molecular Mass: 285.34096
Monoisotopic Mass: 285.14772686
SMILES and InChIs

SMILES:
N1(C(=O)NC2(C1=O)CCNCC2)C1Cc2c(C1)cccc2
Canonical SMILES:
O=C1NC2(C(=O)N1C1Cc3c(C1)cccc3)CCNCC2
InChI:
InChI=1S/C16H19N3O2/c20-14-16(5-7-17-8-6-16)18-15(21)19(14)13-9-11-3-1-2-4-12(11)10-13/h1-4,13,17H,5-10H2,(H,18,21)
InChIKey:
ZAIDUIICLPLPES-UHFFFAOYSA-N

Cite this record

CBID:322007 http://www.chembase.cn/molecule-322007.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2,3-dihydro-1H-inden-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
3-(2,3-dihydro-1H-inden-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
3-(2,3-dihydro-1H-inden-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

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)
Acid pKa 11.617757  H Acceptors
H Donor LogD (pH = 5.5) -2.4611855 
LogD (pH = 7.4) -1.7638444  Log P 0.6011329 
Molar Refractivity 78.4864 cm3 Polarizability 30.502932 Å3
Polar Surface Area 61.44 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.68  LOG S -2.72 
Polar Surface Area 61.44 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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