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

기본 정보

표준 SMILES
CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Cl)ncc21
InChIKey
AHJZAWIFZSBGKJ-UHFFFAOYSA-N
분자식
C13H15ClF2N4O
평균 분자량
316.73 g/mol

이름 및 식별자

우선 이름
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

이름 및 동의어

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
이름 더 보기
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-

데이터베이스 식별자

PubChem CID
57955574

물성

구조 계산 물성

XLogP
2.7
극성 표면적
49.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
1
무거운 원자 수
21

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87건

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