5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
기본 정보
- CAS
489443-06-3- 표준 SMILES
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)c(C)c2)C1c1ccc(Cl)cc1- InChIKey
BKNOHFOJVOZCPW-SHHOIMCASA-N- 분자식
- C28H35ClN2O4
- 평균 분자량
- 499 g/mol
- 단동위원소 질량
- 498.2285353
이름 및 식별자
- 우선 이름
- 5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
- 영어명
- 5-(4-chlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one
- 분자식
- C28H35ClN2O4
- 분자량
- 499.04
이름 및 동의어
AKOS002191424AKOS0160564365-(4-chlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-
데이터베이스 식별자
- CAS
489443-06-3- PubChem CID
- 6246194
- EC Number
- 134-757-4
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 758
물리화학적 성질
- 끓는 점
- 653.6 · 653.6±55.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
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