기본 정보
- 표준 SMILES
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1- InChIKey
JZNPWTCYRWYSEY-UHFFFAOYSA-N- 분자식
- C16H17F3N4O3S
- 평균 분자량
- 402.4 g/mol
- 단동위원소 질량
- 402.09734606
이름 및 식별자
- 우선 이름
- 2-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-4-thiazolecarboxylic acid
- IUPAC
- 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
이름 및 동의어
2-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-4-thiazolecarboxylic acidSCHEMBL121172DTXSID0013496552-(1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carboxylic acid2-{1-[2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-thiazole-4-carboxylic acid2-{1-[2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]piperidin-4-yl}-thiazole-4-carboxylic acid2a(1a{2a[5aMethyla3a(trifluoromethyl)a1Hapyrazola1a yl]acetyl}piperidina4ayl)a1,3athiazolea4a carboxylic acid
데이터베이스 식별자
- PubChem CID
- 66601457
- DTXSID
DTXSID001349655
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 572
관련 반응
29건
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