기본 정보
- CAS
352317-34-1- 표준 SMILES
CCOC(=O)C(NC(=O)c1ccccc1F)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F- InChIKey
FZXPYXGYZVRDAA-UHFFFAOYSA-N- 분자식
- C20H19F4N3O3S
- 평균 분자량
- 457.4 g/mol
- 단동위원소 질량
- 457.1083253
이름 및 식별자
- 우선 이름
- Ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate
- IUPAC
- ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate
- 영어명
- ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate
- 분자식
- C20H19F4N3O3S
- 분자량
- 457.4417728
이름 및 동의어
Ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoateFZXPYXGYZVRDAA-UHFFFAOYSA-NSTK765804AKOS001755186ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoateAG-389/14050028SR-01000534735SR-01000534735-12-(3-Cyano-4-ethyl-5-methyl-thiophen-2-ylamino)-3,3,3-trifluoro-2-(2-fluoro-benzoylamino)-propionic acid ethyl esterEthyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate #ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-{[(2-fluorophenyl)carbonyl]amino}alaninate
데이터베이스 식별자
- CAS
352317-34-1- PubChem CID
- 579766
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 714
화학 및 산업
공급사1 곳
SPECS[email protected]
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