기본 정보
- 표준 SMILES
Cc1[nH]c(/C=C2\C(=O)Nc3cccc(-c4cccc(F)c4)c32)c(C)c1C(=O)N1CCC(N2CCOCC2)CC1- InChIKey
YLTCCASPKCGQJW-BWAHOGKJSA-N- 분자식
- C31H33FN4O3
- 평균 분자량
- 528.6 g/mol
이름 및 식별자
- 우선 이름
- 3-[1-[3,5-Dimethyl-4-(4-morpholin-4-yl-piperidine-1-carbonyl)-1H-pyrrol-2-yl]-meth-(Z)-ylidene]4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one
- IUPAC
- (3Z)-3-[[3,5-dimethyl-4-(4-morpholin-4-ylpiperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-(3-fluorophenyl)-1H-indol-2-one
이름 및 동의어
SCHEMBL6322625YLTCCASPKCGQJW-BWAHOGKJSA-N3-[1-[3,5-dimethyl-4-(4-morpholin-4-yl-piperidine-1-carbonyl)-1h-pyrrol-2-yl]-meth-(z)-ylidene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one3-[1-[3,5-dimethyl-4-(4-morpholin-4-yl-piperidine-1-carbonyl)-1h-pyrrol-2-yl]-meth-(z)-ylidene]-4-(3-fluorophenyl)-1,3-dihydro-indol-2-one3-[1-[3,5-Dimethyl-4-(4-morpholin-4-yl-piperidine-1-carbonyl)-1H-pyrrol-2-yl]-meth-(Z)-ylidene]4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one
데이터베이스 식별자
- PubChem CID
- 60061583
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 77.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 931
관련 반응
2건
화합물 노트
불러오는 중…