기본 정보
- CAS
296247-26-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C- InChIKey
HAOMMBCKOHUZDN-UHFFFAOYSA-N- 분자식
- C26H24ClF3N2O7S
- 평균 분자량
- 601 g/mol
- 단동위원소 질량
- 600.0944845
이름 및 식별자
- 우선 이름
- Ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
- IUPAC
- ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
- 영어명
- ethyl 5-{[2-chloro-5-(trifluoromethyl)anilino]carbonyl}-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thiophenecarboxylate
- 분자식
- C26H24ClF3N2O7S
- 분자량
- 600.99
이름 및 동의어
ETHYL 5-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}-4-METHYL-2-(3,4,5-TRIMETHOXYBENZAMIDO)THIOPHENE-3-CARBOXYLATEChemDiv1_003922HMS598C06STK089078AKOS001617990ethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylateST024545AG-205/14150008SR-01000435638SR-01000435638-1ethyl 5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}carbonyl)-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylateethyl 5-{[2-chloro-5-(trifluoromethyl)anilino]carbonyl}-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thiophenecarboxylate
이름 더 보기
3-Thiophenecarboxylic acid, 5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-, ethyl ester
ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}thiophene-3-carboxylateethyl 5-{N-[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-[(3,4,5-t rimethoxyphenyl)carbonylamino]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
296247-26-2- PubChem CID
- 3275947
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 887
물리화학적 성질
- 끓는 점
- 586.4 · 586.4±50.0 °C(Predicted)
- 밀도
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.3 · 10.30±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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