기본 정보
- CAS
374614-30-9- 표준 SMILES
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1F)C2c1c(Cl)cccc1Cl- InChIKey
OLLKSNDWLKJDJR-UHFFFAOYSA-N- 분자식
- C28H23Cl2FN2O2
- 평균 분자량
- 509.4 g/mol
이름 및 식별자
- 우선 이름
- 6-(2,6-Dichlorophenyl)-5-(2-fluorobenzoyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 6-(2,6-dichlorophenyl)-5-(2-fluorobenzoyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- 영어명
- 11-(2,6-dichlorophenyl)-10-(2-fluorobenzoyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- 분자식
- C28H23Cl2FN2O2
- 분자량
- 509.4
이름 및 동의어
516456-18-16-(2,6-dichlorophenyl)-5-(2-fluorobenzoyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one[11-(2,6-dichlorophenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](2-fluorophenyl)methanone11-(2,6-dichlorophenyl)-10-(2-fluorobenzoyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneOprea1_217372AK-968/13889543STK196662AKOS002320985AKOS016321393AKOS030510196ST50764284(11-(2,6-dichlorophenyl)-1-hydroxy-3,3-dimethyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)(2-fluorophenyl)methanone
이름 더 보기
1H-Dibenzo[b,e][1,4]diazepin-1-one, 11-(2,6-dichlorophenyl)-10-(2-fluorobenzoyl)-2,3,4,5,10,11-hexahydro-3,3-dimethyl-
11-(2,6-dichlorophenyl)-1-hydroxy-3,3-dimethyl(2,3,4-trihydro-11H-benzo[b]benz o[1,2-e]1,4-diazepin-10-yl) 2-fluorophenyl ketone
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 49.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 867
물리화학적 성질
- 끓는 점
- 625.2 · 625.2±55.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0 · 0+-.0.60(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…