N-[2-(4-(2-Carbomethoxy-1-methylethenyl)phenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamine

HCID 53895654

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

관련 반응

8건

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