4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
기본 정보
- CAS
496797-64-9- 표준 SMILES
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCc3ccccc3)cc2C)C1c1ccc(Cl)c(Cl)c1- InChIKey
IDEIHBHWHSZIJY-ORIPQNMZSA-N- 분자식
- C31H32Cl2N2O4
- 평균 분자량
- 567.5 g/mol
- 단동위원소 질량
- 566.1739129
이름 및 식별자
- 우선 이름
- 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione
이름 및 동의어
STK812331AKOS002192608AKOS0160650544-(4-(benzyloxy)-2-methylbenzoyl)-5-(3,4-dichlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(3,4-DICHLOROPHENYL)-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
데이터베이스 식별자
- CAS
496797-64-9- PubChem CID
- 5856862
- EC Number
- 134-916-8
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 873
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