[2-({3-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetic acid
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기본 정보
- CAS
1164533-68-9- 표준 SMILES
COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1OCC(=O)O- InChIKey
SGCJTBABFGDQPM-YBFXNURJSA-N- 분자식
- C24H22N2O7S
- 평균 분자량
- 482.5 g/mol
이름 및 식별자
- 우선 이름
- [2-({3-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetic acid
- IUPAC
- 2-[2-[(E)-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid
- 영어명
- [2-({3-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetic acid
- 분자식
- C24H22N2O7S
- 분자량
- 482.51
이름 및 동의어
SMR000162288MLS000540640[2-({3-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetic acid2-[2-[(E)-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acidCHEMBL1423308BDBM59877cid_1214142HMS2302J16STL380339AKOS000415961AM-879/42029872{2-[(E)-{3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]-6-methoxyphenoxy}acetic acid
이름 더 보기
2-[2-[(E)-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2,4-diketo-thiazolidin-5-ylidene]methyl]-6-methoxy-phenoxy]acetic acid2-[2-[(E)-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-6-methoxy-phenoxy]ethanoic acid2-[2-[(E)-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-6-methoxyphenoxy]acetic acid
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 847
물리화학적 성질
- 끓는 점
- 723.178 · 723.178±70.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.446 · 1.446±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 3.05 · 3.050±0.10(predicted)
관련 반응
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