기본 정보
- 표준 SMILES
COC(=O)COc1ccc(CC(C)NCC(O)c2csc(C(F)(F)F)n2)cc1- InChIKey
RGZIDQJWEHNGQD-UHFFFAOYSA-N- 분자식
- C18H21F3N2O4S
- 평균 분자량
- 418.4 g/mol
- 단동위원소 질량
- 418.11741282
이름 및 식별자
- 우선 이름
- N-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamine
- IUPAC
- methyl 2-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
이름 및 동의어
N-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamineSCHEMBL8880221N-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl) ethanamineN-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)-ethanamineN-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethylthiazol-4-yl) ethanamineN-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethylthiazol-4-yl)ethanamine
데이터베이스 식별자
- PubChem CID
- 14347763
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 490
관련 반응
40건
화합물 노트
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