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9-[5-(methoxymethyl)thiophene-2-carbonyl]-2-(prop-2-en-1-yl)-2,9-diazaspiro[5.5]undecan-3-one

ChemBase ID: 410292
Molecular Formular: C19H26N2O3S
Molecular Mass: 362.48634
Monoisotopic Mass: 362.1664137
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC3(CN(C(=O)CC3)CC=C)CC2)sc(cc1)COC
Canonical SMILES:
COCc1ccc(s1)C(=O)N1CCC2(CC1)CCC(=O)N(C2)CC=C
InChI:
InChI=1S/C19H26N2O3S/c1-3-10-21-14-19(7-6-17(21)22)8-11-20(12-9-19)18(23)16-5-4-15(25-16)13-24-2/h3-5H,1,6-14H2,2H3
InChIKey:
BYVPZKIRHWADAQ-UHFFFAOYSA-N

Cite this record

CBID:410292 http://www.chembase.cn/molecule-410292.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-[5-(methoxymethyl)thiophene-2-carbonyl]-2-(prop-2-en-1-yl)-2,9-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
9-[5-(methoxymethyl)thiophene-2-carbonyl]-2-(prop-2-en-1-yl)-2,9-diazaspiro[5.5]undecan-3-one
Synonyms
2-allyl-9-{[5-(methoxymethyl)-2-thienyl]carbonyl}-2,9-diazaspiro[5.5]undecan-3-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.8081287  LogD (pH = 7.4) 1.808129 
Log P 1.808129  Molar Refractivity 99.4957 cm3
Polarizability 37.84129 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.52  LOG S -3.14 
Polar Surface Area 49.85 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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