Ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate
기본 정보
- CAS
296247-22-8- 표준 SMILES
CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C- InChIKey
IYHWBHPTCPOIEM-UHFFFAOYSA-N- 분자식
- C25H22ClF3N2O4S
- 평균 분자량
- 539 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate
- IUPAC
- ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate
- 영어명
- ethyl 5-{[2-chloro-5-(trifluoromethyl)anilino]carbonyl}-4-methyl-2-[(3-phenylpropanoyl)amino]-3-thiophenecarboxylate
- 분자식
- C25H22ClF3N2O4S
- 분자량
- 538.97
이름 및 동의어
ETHYL 5-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}-4-METHYL-2-(3-PHENYLPROPANAMIDO)THIOPHENE-3-CARBOXYLATEethyl 5-((2-chloro-5-(trifluoromethyl)phenyl)carbamoyl)-4-methyl-2-(3-phenylpropanamido)thiophene-3-carboxylateCBMicro_002249ChemDiv1_004098HMS598K06SMSF0013001STK042194AKOS001618067CB03771ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylateST024565BIM-0002246.P001
이름 더 보기
3-Thiophenecarboxylic acid, 5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-, ethyl ester
AG-205/14150010SR-01000435649SR-01000435649-1296247-22-8ethyl 5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}carbonyl)-4-methyl-2-[(3-phenylpropanoyl)amino]thiophene-3-carboxylateethyl 5-{[2-chloro-5-(trifluoromethyl)anilino]carbonyl}-4-methyl-2-[(3-phenylpropanoyl)amino]-3-thiophenecarboxylateethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-[(3-phenylpropanoyl)amino]thiophene-3-carboxylateethyl 5-{N-[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-(3-phenyl propanoylamino)thiophene-3-carboxylate
데이터베이스 식별자
- CAS
296247-22-8
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 781
물리화학적 성질
- 끓는 점
- 614 · 614.0±55.0 °C(Predicted)
- 밀도
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.32 · 10.32±0.70(Predicted)
관련 반응
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