기본 정보
- 표준 SMILES
COC(=O)C=C(C)c1ccc(CC(C)NCC(O)c2csc(C(F)(F)F)n2)cc1- InChIKey
HTNGGDKAECSISC-UHFFFAOYSA-N- 분자식
- C20H23F3N2O3S
- 평균 분자량
- 428.5 g/mol
- 단동위원소 질량
- 428.13814826
이름 및 식별자
- 우선 이름
- N-[2-(4-(2-Carbomethoxy-1-methylethenyl)phenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamine
- IUPAC
- methyl 3-[4-[2-[[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenyl]but-2-enoate
이름 및 동의어
N-[2-(4-(2-Carbomethoxy-1-methylethenyl)phenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamineSCHEMBL8880346N-[2-(4-(2-carbomethoxy-1-methylethenyl)phenyl)-1-methyl-ethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)- ethanamineN-[2-(4-(2-carbomethoxy-1-methylethenyl)phenyl)-1-methyl-ethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamineN-[2-(4-(2-Carbomethoxy-1-methylethenyl)phenyl)-1-methylethyl]-2-hydroxy-2-(trifluoromethyl-thiazol-4-yl)ethanamine
데이터베이스 식별자
- PubChem CID
- 53895654
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 99.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 566
관련 반응
8건
화합물 노트
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