기본 정보
- CAS
1354550-85-8- 표준 SMILES
Cl.Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCNC2- InChIKey
OCBMVHZMHMSBLS-UHFFFAOYSA-N- 분자식
- C21H22ClFN4O
- 평균 분자량
- 400.9 g/mol
- 단동위원소 질량
- 400.1466172
이름 및 식별자
- 우선 이름
- 4-fluoro-N-[(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylbenzamide hydrochloride
- IUPAC
- 4-fluoro-N-[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylbenzamide;hydrochloride
이름 및 동의어
1354550-85-84-fluoro-N-[(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylbenzamide hydrochloride4-Fluoro-N-((1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl)-N-phenylbenzamide hydrochlorideMFCD120283411160245-39-54-fluoro-N-({1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-phenylbenzamide hydrochloride4-Fluoro-N-[(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]-pyridin-3-yl)methyl]-N-phenylbenzamide hydrochloride4-fluoro-N-[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylbenzamide;hydrochlorideBenzamide, 4-fluoro-N-phenyl-N-[(4,5,6,7-tetrahydro-1-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-, hydrochloride (1:1)H253064-Fluoro-N-((1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl)-N-phenylbenzamidehydrochloride4-fluoro-N-[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenyl-benzamide;hydrochloride
데이터베이스 식별자
- CAS
1354550-85-8- PubChem CID
- 56777512
물성
구조 계산 물성
- 극성 표면적
- 50.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 504
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