2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(1H-1-pyrazolyl)phenyl]-3(2H,4H)-1,2,4-triazolone (HCID 3002951)

기본 정보

표준 SMILES: C[C@@H](n1ncn(-c2ccc(-n3cccn3)cc2)c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIKey: FVNRZRQWFBLMFI-WAIKUNEKSA-N
분자식: C23H20F2N8O2
평균 분자량: 478.5 g/mol

이름 및 식별자

우선 이름: 2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(1H-1-pyrazolyl)phenyl]-3(2H,4H)-1,2,4-triazolone
IUPAC: 2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-one

이름 및 동의어

SCHEMBL7687696FVNRZRQWFBLMFI-WAIKUNEKSA-N2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(1H-1-pyrazolyl )phenyl]-3(2H,4H)-1,2,4-triazolone2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(1H-1-pyrazolyl)phenyl]-3(2H,4H)-1,2,4-triazolone

데이터베이스 식별자

PubChem CID: 3002951

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 105 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 7
무거운 원자 수: 35
형식 전하: 0
복잡도: 785

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