기본 정보
- CAS
514194-94-6- 표준 SMILES
COc1ccccc1C1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1c1nc2c(C)cc(C)cc2s1- InChIKey
IRENLNCWNBVNGB-UHFFFAOYSA-N- 분자식
- C26H22N2O5S
- 평균 분자량
- 474.5 g/mol
이름 및 식별자
- 우선 이름
- 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(2-methoxyphenyl)-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(2-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
- 영어명
- 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(2-methoxyphenyl)-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C26H22N2O5S
- 분자량
- 474.53
이름 및 동의어
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(2-methoxyphenyl)-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-oneCHEMBL3402487514194-94-6BDBM50069539STL045679AKOS002177935AKOS005699161AKOS0162966201-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(2-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-oneST50066700AP-906/41649333(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
이름 더 보기
2H-Pyrrol-2-one, 1-(4,6-dimethyl-2-benzothiazolyl)-1,5-dihydro-3-hydroxy-5-(2-methoxyphenyl)-4-[(5-methyl-2-furanyl)carbonyl]-
1-(4,6-dimethylbenzo[d]thiazol-2-yl)-3-hydroxy-5-(2-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)-1H-pyrrol-2(5H)-one1-(4,6-dimethylbenzothiazol-2-yl)-3-hydroxy-5-(2-methoxyphenyl)-4-[(5-methyl(2 -furyl))carbonyl]-3-pyrrolin-2-one
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 849
물리화학적 성질
- 끓는 점
- 639.6 · 639.6±65.0 °C(Predicted)
- 밀도
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
화학 및 산업
공급사3 곳
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