9,9-dimethyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
기본 정보
- CAS
354543-29-6- 표준 SMILES
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(C(F)(F)F)cc1- InChIKey
KGIANOGIIUBHBP-UHFFFAOYSA-N- 분자식
- C22H21F3N2O
- 평균 분자량
- 386.4 g/mol
이름 및 식별자
- 우선 이름
- 9,9-dimethyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 9,9-dimethyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
- 영어명
- 3,3-dimethyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- 분자식
- C22H21F3N2O
- 분자량
- 386.41
이름 및 동의어
3,3-dimethyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one9,9-dimethyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one3,3-dimethyl-11-(4-(trifluoromethyl)phenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol3,3-dimethyl-11-[4-(trifluoromethyl)phenyl]-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol3,3-dimethyl-11-(4-(trifluoromethyl)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneSTK741943STK868327AKOS000621502AKOS005524438AKOS021989832374550-74-0AK-968/15360970
이름 더 보기
1H-Dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3-dimethyl-11-[4-(trifluoromethyl)phenyl]-
AK-968/37055010SR-01000433133SR-01000433133-13,3-dimethyl-11-[(4-trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
데이터베이스 식별자
- CAS
354543-29-6
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 647
관련 반응
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