5-[4-(allyloxy)phenyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one
기본 정보
- CAS
442551-42-0- 표준 SMILES
C=CCOc1ccc(C2/C(=C(\O)c3ccc(OCCC)cc3C)C(=O)C(=O)N2CCN(C)C)cc1- InChIKey
ZAERANHLDXWNOI-SHHOIMCASA-N- 분자식
- C28H34N2O5
- 평균 분자량
- 478.6 g/mol
- 단동위원소 질량
- 478.24677219
이름 및 식별자
- 우선 이름
- 5-[4-(allyloxy)phenyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methyl-4-propoxyphenyl)methylidene]-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
- 영어명
- 5-(4-(allyloxy)phenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-1H-pyrrol-2(5H)-one
- 분자식
- C28H34N2O5
- 분자량
- 478.58
이름 및 동의어
STK810315AKOS001667454AKOS0160698831-[2-(dimethylamino)ethyl]-3-hydroxy-4-[(2-methyl-4-propoxyphenyl)carbonyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one5-[4-(allyloxy)phenyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one5-(4-(allyloxy)phenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 1-[2-(dimethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-[4-(2-propen-1-yloxy)phenyl]-
데이터베이스 식별자
- CAS
442551-42-0- PubChem CID
- 5865001
- EC Number
- 134-485-6
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 771
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