1-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N-methylcyclopropanecarboxamide (HCID 16063648)

기본 정보

표준 SMILES: Cc1cc(F)ccc1-c1cc(N2CCN3CCC[C@H]3C2)ncc1N(C)C(=O)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIKey: LMXZRKGDPTUTEP-DEOSSOPVSA-N
분자식: C32H31F7N4O
평균 분자량: 620.6 g/mol

이름 및 식별자

우선 이름: 1-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N-methylcyclopropanecarboxamide
IUPAC: N-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylcyclopropane-1-carboxamide

이름 및 동의어

1-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N-methylcyclopropanecarboxamideSCHEMBL3375731-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(8aS) -hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-pyridinyl}-N -methylcyclopropanecarboxamide

데이터베이스 식별자

PubChem CID: 16063648

물성

구조 계산 물성

XLogP: 6.8
극성 표면적: 39.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 11
회전 가능 결합 수: 5
무거운 원자 수: 44
형식 전하: 0
복잡도: 1,010

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