기본 정보
- CAS
355003-50-8- 표준 SMILES
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OCc2ccccc2)cc1- InChIKey
WYEZSJGZOFQIJS-UHFFFAOYSA-N- 분자식
- C32H34N2O3
- 평균 분자량
- 494.6 g/mol
이름 및 식별자
- 우선 이름
- 9,9-Dimethyl-5-(2-methylpropanoyl)-6-(4-phenylmethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 9,9-dimethyl-5-(2-methylpropanoyl)-6-(4-phenylmethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- 영어명
- 11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- 분자식
- C32H34N2O3
- 분자량
- 494.62
이름 및 동의어
11-[4-(benzyloxy)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one6-(4-benzyloxyphenyl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one11-(4-(benzyloxy)phenyl)-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneAK-968/13025448STK741843AKOS0055244239,9-dimethyl-5-(2-methylpropanoyl)-6-(4-phenylmethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one11-[4-(benzyloxy)phenyl]-3,3-dimethyl-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one1H-Dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3-dimethyl-10-(2-methyl-1-oxopropyl)-11-[4-(phenylmethoxy)phenyl]-
데이터베이스 식별자
- CAS
355003-50-8
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 863
물리화학적 성질
- 끓는 점
- 695 · 695.0±55.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.5 · 1.50±0.60(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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