기본 정보
- CAS
620587-09-9- 표준 SMILES
CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(OC)cc2)nc1C- InChIKey
FDEREWIGMNVKHB-UHFFFAOYSA-N- 분자식
- C25H20N2O6S
- 평균 분자량
- 476.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-[1-(4-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[1-(4-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
- 영어명
- ethyl 2-(1-(4-methoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl)-4-methyl-1,3-thiazole-5-carboxylate
- 분자식
- C25H20N2O6S
- 분자량
- 476.5
이름 및 동의어
620587-09-9ethyl 2-[1-(4-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylateethyl 2-(1-(4-methoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl)-4-methyl-1,3-thiazole-5-carboxylateethyl 2-[1-(4-methoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylateSTK818883AKOS001696830AKOS016087470AF-399/42217501Z57789358ethyl 2-[1-(4-methoxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate5-Thiazolecarboxylic acid, 2-[3,9-dihydro-1-(4-methoxyphenyl)-3,9-dioxo[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-, ethyl ester
데이터베이스 식별자
- CAS
620587-09-9
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 869
물리화학적 성질
- 끓는 점
- 632.1 · 632.1±65.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.74 · 1.74±0.10(Predicted)
화학 및 산업
공급사2 곳
OTAVA-BB[email protected]
SPECS[email protected]
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