N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)propane-2-sulfonamide (HCID 44555733)

기본 정보

표준 SMILES: CC(C)S(=O)(=O)NC1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21
InChIKey: SIOUGTHDMKIULS-UHFFFAOYSA-N
분자식: C18H22F3N3O3S
평균 분자량: 417.4 g/mol
단동위원소 질량: 417.13339723

이름 및 식별자

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

이름 및 동의어

CHEMBL1642168SCHEMBL1590812BDBM50417564N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)propane-2-sulfonamideN-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide

데이터베이스 식별자

PubChem CID: 44555733
ChEMBL: CHEMBL1642168

물성

구조 계산 물성

XLogP: 2
극성 표면적: 92.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 6
무거운 원자 수: 28
형식 전하: 0
복잡도: 638

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