4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
기본 정보
- CAS
500103-91-3- 표준 SMILES
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCc3ccccc3)cc2C)C1c1cccc(Oc2ccccc2)c1- InChIKey
GZXUFWSRNIJOSB-LAPDZXRHSA-N- 분자식
- C37H38N2O5
- 평균 분자량
- 590.7 g/mol
- 단동위원소 질량
- 590.27807232
이름 및 식별자
- 우선 이름
- 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
- 영어명
- 4-(4-(benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-phenoxyphenyl)-1H-pyrrol-2(5H)-one
- 분자식
- C37H38N2O5
- 분자량
- 590.71
이름 및 동의어
STK812544AKOS002195790AKOS0160654684-(4-(benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-phenoxyphenyl)-1H-pyrrol-2(5H)-one4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-PHENOXYPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[2-methyl-4-(phenylmethoxy)benzoyl]-5-(3-phenoxyphenyl)-
데이터베이스 식별자
- CAS
500103-91-3- PubChem CID
- 5893043
- EC Number
- 134-833-7
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 967
물리화학적 성질
- 끓는 점
- 760.8 · 760.8±60.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…