(RS)-3-[(1,3-dihydroxy-2-propyl)thio]-3-methyl-2-[4-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)-2-butanol

HCID 18363280

기본 정보

표준 SMILES
CC(C)(SC(CO)CO)C(O)(Cn1cncn1)c1ccc(C(F)(F)F)cc1
InChIKey
CDSSBWIONWLSFH-UHFFFAOYSA-N
분자식
C17H22F3N3O3S
평균 분자량
405.4 g/mol

이름 및 식별자

우선 이름
(RS)-3-[(1,3-dihydroxy-2-propyl)thio]-3-methyl-2-[4-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)-2-butanol
IUPAC
2-[3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]butan-2-yl]sulfanylpropane-1,3-diol

이름 및 동의어

(RS)-3-[(1,3-dihydroxy-2-propyl)thio]-3-methyl-2-[4-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)-2-butanolSCHEMBL7806258(RS)-3-[ (1,3-dihydroxy-2-propyl) thio]-3-methyl-2-[4-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)-2-butanol(RS)-3-[(1,3-dihydroxy-2-propyl)thio]-3-methyl-2-[4-(trifluoromethyl)phenyl]-1-(1 H-1,2,4-triazol-1-yl)-2-butanol

데이터베이스 식별자

PubChem CID
18363280

물성

구조 계산 물성

XLogP
1.5
극성 표면적
117 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
27

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7건

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