N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

HCID 53326549
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기본 정보

표준 SMILES
Cn1cc(S(=O)(=O)NC2CCc3cc(Cn4cc(CO)c(C(F)(F)F)n4)ccc32)c(C(F)(F)F)n1
InChIKey
PBXHCAPMGJNCRS-UHFFFAOYSA-N
분자식
C20H19F6N5O3S
평균 분자량
523.5 g/mol

이름 및 식별자

우선 이름
N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
IUPAC
N-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

이름 및 동의어

CHEMBL1642172SCHEMBL1591994BDBM50417568N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonamideN-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

데이터베이스 식별자

PubChem CID
53326549
ChEMBL
CHEMBL1642172

물성

구조 계산 물성

XLogP
2
극성 표면적
110 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
12
회전 가능 결합 수
6
무거운 원자 수
35

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