기본 정보
- CAS
371129-20-3- 표준 SMILES
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)C2c1ccccc1OCc1ccccc1- InChIKey
HOPXCGPTQIPUHA-UHFFFAOYSA-N- 분자식
- C30H27F3N2O3
- 평균 분자량
- 520.5 g/mol
이름 및 식별자
- 우선 이름
- 9,9-Dimethyl-6-(2-phenylmethoxyphenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 9,9-dimethyl-6-(2-phenylmethoxyphenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- 영어명
- 11-[2-(benzyloxy)phenyl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- 분자식
- C30H27F3N2O3
- 분자량
- 520.54
이름 및 동의어
371129-20-39,9-dimethyl-6-(2-phenylmethoxyphenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one11-[2-(benzyloxy)phenyl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one11-(2-(benzyloxy)phenyl)-3,3-dimethyl-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one11-[2-(BENZYLOXY)PHENYL]-3,3-DIMETHYL-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONEAK-968/13781228STK136040STK564471AKOS003794880AKOS0054904221-{11-[2-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone1H-Dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3-dimethyl-11-[2-(phenylmethoxy)phenyl]-10-(2,2,2-trifluoroacetyl)-
데이터베이스 식별자
- CAS
371129-20-3
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 924
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…