7-[4-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)butyl]-1-ethyl-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
기본 정보
- 표준 SMILES
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(CCCCN3C(=O)c4ccccc4C3=O)ccc21- InChIKey
FLQWIZYKSRFVDS-UHFFFAOYSA-N- 분자식
- C26H29N3O4
- 평균 분자량
- 447.5 g/mol
이름 및 식별자
- 우선 이름
- 7-[4-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)butyl]-1-ethyl-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
- IUPAC
- 7-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-ethyl-3,3,5-trimethyl-1,5-benzodiazepine-2,4-dione
이름 및 동의어
SCHEMBL12081095FLQWIZYKSRFVDS-UHFFFAOYSA-N7-[4-(1,3-dioxo-1,3-dihydroisoindol-2-yl) butyl]-1-ethyl-3,3,5-tri methyl-1,5-dihydrobenzo[b][1,4]diazepine 2,4-dione7-[4-(1,3-dioxo-1,3-dihydroisoindol-2-yl) butyl]-1-ethyl-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione7-[4-(1,3-dioxo-1,3-dihydroisoindol-2-yl)butyl]-1-ethyl-3,3,5-tri methyl-1,5-dihydrobenzo[b][1,4]diazepine 2,4-dione7-[4-(1,3-dioxo-1,3-dihydroisoindol-2-yl)butyl]-1-ethyl-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine 2,4-dione7-[4-(1,3-dioxo-1,3-dihydroisoindol-2-yl)butyl]-1-ethyl-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
데이터베이스 식별자
- PubChem CID
- 70657163
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 78 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 785
관련 반응
4건
화합물 노트
불러오는 중…