기본 정보
- CAS
1357476-68-6- 표준 SMILES
CC(=O)Nc1nc(C)c(-c2ccnc(C(C)(C)C(F)(F)F)c2)s1- InChIKey
PUQITTZJAFOSAJ-UHFFFAOYSA-N- 분자식
- C15H16F3N3OS
- 평균 분자량
- 343.4 g/mol
- 단동위원소 질량
- 343.0966178
이름 및 식별자
- 우선 이름
- N-(4-Methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)acetamide
- IUPAC
- N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
이름 및 동의어
1357476-68-6N-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]acetamideN-(4-Methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)acetamideRefChem:362127N-(4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)acetamideN-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]acetamideAcetamide, N-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-N-{4-Methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}acetamideSCHEMBL15803671PUQITTZJAFOSAJ-UHFFFAOYSA-NDTXSID701124620C91495
데이터베이스 식별자
- CAS
1357476-68-6- PubChem CID
- 71682811
- DTXSID
DTXSID701124620
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 83.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 444
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