2-(4-fluorophenyl)-2-(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}piperidin-1-yl)-N-methylacetamide

HCID 10326415
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기본 정보

표준 SMILES
CNC(=O)C(c1ccc(F)cc1)N1CCC(CCN2[C@@H]3CC[C@H]2CC(n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1
InChIKey
PQNRXPGROMBFLT-HXWMYPCCSA-N
분자식
C37H43F2N5O
평균 분자량
611.8 g/mol

이름 및 식별자

우선 이름
2-(4-fluorophenyl)-2-(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}piperidin-1-yl)-N-methylacetamide
IUPAC
2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]-N-methylacetamide

이름 및 동의어

CHEMBL453525SCHEMBL3531270SCHEMBL13544131PQNRXPGROMBFLT-HXWMYPCCSA-N2-(4-fluorophenyl)-2-(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}piperidin-1-yl)-N-methylacetamide2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-[(1S)-2-methylbenzimidazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-1-piperidyl]-N-methyl-acetamide

데이터베이스 식별자

PubChem CID
10326415
ChEMBL
CHEMBL453525

물성

구조 계산 물성

XLogP
6.8
극성 표면적
53.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
45

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