기본 정보
- CAS
488110-16-3- 표준 SMILES
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)c(C)c2)C1c1ccc(Cl)c(Cl)c1- InChIKey
MVKJIAFWNISSOO-SHHOIMCASA-N- 분자식
- C28H34Cl2N2O4
- 평균 분자량
- 533.5 g/mol
- 단동위원소 질량
- 532.189563
이름 및 식별자
- 우선 이름
- 5-(3,4-Dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
- 영어명
- 5-(3,4-dichlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one
- 분자식
- C28H34Cl2N2O4
- 분자량
- 533.49
이름 및 동의어
STK811932AKOS002191404AKOS0160564355-(3,4-dichlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one5-(3,4-DICHLOROPHENYL)-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-4-(4-ISOBUTOXY-3-METHYLBENZOYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-
데이터베이스 식별자
- CAS
488110-16-3- PubChem CID
- 5908033
- EC Number
- 134-756-9
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 800
화학 및 산업
공급사3 곳
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
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