4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-methyl-benzenesulfonamide

HCID 10349731
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기본 정보

표준 SMILES
CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@@H]4CC[C@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F
InChIKey
AWXQYTLSBPWDMJ-FITHBNAOSA-N
분자식
C36H40ClF2N5O3S
평균 분자량
696.2 g/mol

이름 및 식별자

우선 이름
4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-methyl-benzenesulfonamide
IUPAC
4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-methylbenzenesulfonamide

이름 및 동의어

716354-04-04-Chloro-2-fluoro-5-(4-(3-fluorophenyl)-4-(2-((1R,3r,5S)-3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)piperidine-1-carbonyl)-N-methylbenzenesulfonamidestarbld0032143orb2814363SCHEMBL3525934SCHEMBL13544091AWXQYTLSBPWDMJ-FITHBNAOSA-N4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-methyl-benzenesulfonamideHY-12944T2033634-chloro-2-fluoro-5-[(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)carbonyl]-N-methylbenzenesulfonamide

데이터베이스 식별자

PubChem CID
10349731

물성

구조 계산 물성

XLogP
6.5
극성 표면적
95.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
48

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