2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoic acid
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
1282513-03-4- 표준 SMILES
Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(=O)O)c4)cc2OCC3)n(C(C)C)n1- InChIKey
DFLUNRVFVAAWSG-UHFFFAOYSA-N- 분자식
- C24H27N7O3
- 평균 분자량
- 461.5 g/mol
- 단동위원소 질량
- 461.21753775
이름 및 식별자
- 우선 이름
- 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoic acid
- IUPAC
- 2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanoic acid
- 영어명
- 1H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]iMidazo[1,2-d][1,4]benzoxazepin-9-yl]-α,α-diMethyl-
- 분자식
- C24H27N7O3
- 분자량
- 461.52
이름 및 동의어
1282513-03-42-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoic acid1H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-alpha,alpha-dimethyl-MFCD281678932-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanoic acid1H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-|A,|A-dimethyl-SCHEMBL11967434DFLUNRVFVAAWSG-UHFFFAOYSA-NC24H27N7O3EX-A17548ECS-M2568AKOS030235454
이름 더 보기
1H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]iMidazo[1,2-d][1,4]benzoxazepin-9-yl]-α,α-diMethyl-
CS-14773F12864F7897701H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-|_,|_-dimethyl-2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoicacid2-[4-[2-(2-isopropyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]-2-methyl-propanoic acid
물성
구조 계산 물성보충 중
- XLogP
- 2.5
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 752
물리화학적 성질
- 끓는 점
- 767.9 · 767.9±70.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- 3.53 · 3.53±0.10(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
관련 반응
20건
화합물 노트
불러오는 중…