N-{2-Amino-1-[3-(trifluoromethyl)phenyl]ethyl}-2-{3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetamide hydrochloride

HCID 46929233

기본 정보

표준 SMILES
Cl.NCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1
InChIKey
BFABSNWGLOLJKM-KRNWZFANSA-N
분자식
C22H21Cl2F6N5O3
평균 분자량
588.3 g/mol

이름 및 식별자

우선 이름
N-{2-Amino-1-[3-(trifluoromethyl)phenyl]ethyl}-2-{3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetamide hydrochloride
IUPAC
N-[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide;hydrochloride

이름 및 동의어

N-{2-Amino-1-[3-(trifluoromethyl)phenyl]ethyl}-2-{3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetamide hydrochlorideSCHEMBL3446983

데이터베이스 식별자

PubChem CID
46929233

물성

구조 계산 물성

극성 표면적
111 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
11
회전 가능 결합 수
8
무거운 원자 수
38

관련 반응

6건

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