Ethyl 4-methyl-2-[(phenylacetyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
기본 정보
- CAS
312586-49-5- 표준 SMILES
CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc(C(=O)Nc2ccccc2C)c1C- InChIKey
MZRBEPPEHBIJSB-UHFFFAOYSA-N- 분자식
- C24H24N2O4S
- 평균 분자량
- 436.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-methyl-2-[(phenylacetyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
- IUPAC
- ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
- 영어명
- ethyl 4-methyl-2-[(phenylacetyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
- 분자식
- C24H24N2O4S
- 분자량
- 436.52
이름 및 동의어
ethyl 4-methyl-2-[(phenylacetyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylateOprea1_499945Oprea1_811702STK072490AKOS000509198ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylateETHYL 4-METHYL-5-[(2-METHYLPHENYL)CARBAMOYL]-2-(2-PHENYLACETAMIDO)THIOPHENE-3-CARBOXYLATEAG-690/11972735SR-01000429591SR-01000429591-1ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(phenylacetyl)amino]thiophene-3-carboxylate3-Thiophenecarboxylic acid, 4-methyl-5-[[(2-methylphenyl)amino]carbonyl]-2-[(2-phenylacetyl)amino]-, ethyl ester
데이터베이스 식별자
- CAS
312586-49-5
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 637
물리화학적 성질
- 끓는 점
- 596.6 · 596.6±50.0 °C(Predicted)
- 밀도
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.79 · 11.79±0.70(Predicted)
관련 반응
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