Ethyl 4-methyl-5-(pyrrolidine-1-carbonyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
기본 정보
- CAS
347325-94-4- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N2CCCC2)c1C- InChIKey
QBOSRHPJNVJCLH-UHFFFAOYSA-N- 분자식
- C18H20N2O4S2
- 평균 분자량
- 392.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-methyl-5-(pyrrolidine-1-carbonyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
- IUPAC
- ethyl 4-methyl-5-(pyrrolidine-1-carbonyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
- 영어명
- ethyl 4-methyl-5-(1-pyrrolidinylcarbonyl)-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylate
- 분자식
- C18H20N2O4S2
- 분자량
- 392.49
이름 및 동의어
ethyl 4-methyl-5-(pyrrolidinylcarbonyl)-2-(2-thienylcarbonylamino)thiophene-3- carboxylateOprea1_383963STK048931AKOS000662841CCG-339467ethyl 4-methyl-5-(pyrrolidine-1-carbonyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylateST032414AG-205/40959951SR-01000585230SR-01000585230-1Ethyl 4-methyl-5-(pyrrolidinylcarbonyl)-2-(2-thienylcarbonylamino)thiophene-3-carboxylate347325-94-4
이름 더 보기
3-Thiophenecarboxylic acid, 4-methyl-5-(1-pyrrolidinylcarbonyl)-2-[(2-thienylcarbonyl)amino]-, ethyl ester
ethyl 4-methyl-5-(1-pyrrolidinylcarbonyl)-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylateethyl 4-methyl-5-(pyrrolidin-1-ylcarbonyl)-2-[(thiophen-2-ylcarbonyl)amino]thiophene-3-carboxylateETHYL 4-METHYL-5-(PYRROLIDINE-1-CARBONYL)-2-(THIOPHENE-2-AMIDO)THIOPHENE-3-CARBOXYLATEethyl 4-methyl-5-(pyrrolidine-1-carbonyl)-2-(thiophene-2-carboxamido)thiophene-3-carboxylate
데이터베이스 식별자
- CAS
347325-94-4
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 553
물리화학적 성질
- 끓는 점
- 522.1 · 522.1±50.0 °C(Predicted)
- 밀도
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.1 · 12.10±0.70(Predicted)
관련 반응
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