기본 정보
- 표준 SMILES
COc1ccc(-c2cccc3c2C(=Cc2[nH]c(C)c(C(=O)N4CCN(C)CC4)c2C)C(=O)N3)cc1- InChIKey
CCWBUISYAAUALO-UHFFFAOYSA-N- 분자식
- C28H30N4O3
- 평균 분자량
- 470.6 g/mol
- 단동위원소 질량
- 470.23179083
이름 및 식별자
- 우선 이름
- 3-[3,5-dimethyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-4-(4-methoxy-phenyl)-1,3-dihydro-indol-2-one
- IUPAC
- 3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-(4-methoxyphenyl)-1H-indol-2-one
이름 및 동의어
SCHEMBL6321388CCWBUISYAAUALO-UHFFFAOYSA-N3-[3,5-dimethyl-4-(4-methyl-piperazine-1-carbonyl)-1 H-pyrrol-2-ylmethylene]-4-(4-methoxy-phenyl)-1,3-dihydro-indol-2-one3-[3,5-dimethyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-4-(4-methoxy-phenyl)-1,3-dihydro-indol-2-one3-[3,5-dimethyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]4-(4-methoxy-phenyl)-1,3-dihydro-indol-2-one
데이터베이스 식별자
- PubChem CID
- 51346415
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 77.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 815
관련 반응
3건
화합물 노트
불러오는 중…