기본 정보
- CAS
312621-49-1- 표준 SMILES
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Br)s1- InChIKey
XGHGLWRKIUQWEN-UHFFFAOYSA-N- 분자식
- C23H25BrN2O2S
- 평균 분자량
- 473.4 g/mol
- 단동위원소 질량
- 472.08201
이름 및 식별자
- 우선 이름
- 6-(5-Bromothiophen-2-yl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 6-(5-bromothiophen-2-yl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- 영어명
- 11-(5-bromo-2-thienyl)-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- 분자식
- C23H25BrN2O2S
- 분자량
- 473.43
이름 및 동의어
6-(5-bromothiophen-2-yl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one11-(5-bromo-2-thienyl)-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one6-(5-bromo-2-thienyl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-oneChemDiv1_003835HMS597O07MFCD01811045STK085850AKOS000622109AKOS022077700312621-49-1ZINC000018137398ZINC000018137400
이름 더 보기
11-(5-bromothiophen-2-yl)-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, 11-(5-bromo-2-thienyl)-2,3,4,5,10,11-hexahydro-3,3-dimethyl-10-(2-methyl-1-oxopropyl)-
AK-968/12265197SR-01000433090SR-01000433090-1Brc1ccc(s1)C1C2=C(Nc3c(N1C(=O)C(C)C)cccc3)CC(CC2=O)(C)CCC(C)C(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(S4)Br11(5bromothiophen2yl)10isobutyryl33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one11(5bromothiophen2yl)33dimethyl10(2methylpropanoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one11-(5-bromothiophen-2-yl)-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 77.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 720
물리화학적 성질
- 끓는 점
- 625.1 · 625.1±55.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.08 · 1.08±0.60(Predicted)
화학 및 산업
공급사3 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…