4-(4-Butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
기본 정보
- CAS
488804-67-7- 표준 SMILES
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(CC)CC)C2c2ccc(O)cc2)cc1C- InChIKey
CJDCWQZGBVNTPP-SHHOIMCASA-N- 분자식
- C28H36N2O5
- 평균 분자량
- 480.6 g/mol
- 단동위원소 질량
- 480.26242225
이름 및 식별자
- 우선 이름
- 4-(4-Butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
- 영어명
- 4-(4-butoxy-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one
- 분자식
- C28H36N2O5
- 분자량
- 480.6
이름 및 동의어
STK812765AKOS002196258AKOS0160641464-(4-butoxy-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-5-(4-HYDROXYPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-5-(4-hydroxyphenyl)-
데이터베이스 식별자
- CAS
488804-67-7- PubChem CID
- 5942754
- EC Number
- 134-928-3
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 90.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 742
물리화학적 성질
- 끓는 점
- 678.7 · 678.7±55.0 °C(Predicted)
- 밀도
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
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