2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one

HCID 57955574

基本情報

標準SMILES
CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Cl)ncc21
InChIKey
AHJZAWIFZSBGKJ-UHFFFAOYSA-N
分子式
C13H15ClF2N4O
平均分子量
316.73 g/mol

名称と識別子

優先名称
2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one
IUPAC
2-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one

名称と別名

1062246-03-02-CHLORO-9-CYCLOPENTYL-7,7-DIFLUORO-5-METHYL-8,9-DIHYDRO-5H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-6(7H)-ONEMFCD255420982-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one2-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-oneRO3280 intermediateC13H15ClF2N4OSCHEMBL1559681SCHEMBL30135708AKOS0272534412-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[5,4-b][1,4]diazepin-6(7H)-one
名称をさらに表示
AS-41748CS-0136244F3318676H-Pyrimido[4,5-b][1,4]diazepin-6-one, 2-chloro-9-cyclopentyl-7,7-difluoro-5,7,8,9-tetrahydro-5-methyl-

データベース識別子

PubChem CID
57955574

物性

構造計算による物性

XLogP
2.7
極性表面積
49.3 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
1
重原子数
21

関連反応

87 件

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