4-{[4-(benzyloxy)-3-methylphenyl]carbonyl}-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
기본 정보
- CAS
500271-22-7- 표준 SMILES
COc1cc(C2/C(=C(\O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O- InChIKey
XDRUTPOVAJDOEW-OWWNRXNESA-N- 분자식
- C33H36N2O7
- 평균 분자량
- 572.6 g/mol
- 단동위원소 질량
- 572.25225149
이름 및 식별자
- 우선 이름
- 4-{[4-(benzyloxy)-3-methylphenyl]carbonyl}-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- 영어명
- 4-[4-(Benzyloxy)-3-methylbenzoyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- 분자량
- 0
이름 및 동의어
STK811856AKOS002190805AKOS0160566734-(4-(benzyloxy)-3-methylbenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one4-[4-(BENZYLOXY)-3-METHYLBENZOYL]-3-HYDROXY-5-(4-HYDROXY-3-METHOXYPHENYL)-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE4-{[4-(benzyloxy)-3-methylphenyl]carbonyl}-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
데이터베이스 식별자
- CAS
500271-22-7- PubChem CID
- 6248280
- EC Number
- 134-739-6
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 945
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