rac-trans-(2-(((5-Chloropyrimidin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-(4-fluorophenyl)-2-methylthiazol-4-yl)methanone (HCID 89741474)

기본 정보

표준 SMILES: Cc1nc(C(=O)N2CCC[C@@H](C)[C@@H]2CNc2ncc(Cl)cn2)c(-c2ccc(F)cc2)s1
InChIKey: HOYRKLOSSPBUHN-ACJLOTCBSA-N
분자식: C22H23ClFN5OS
평균 분자량: 460 g/mol

이름 및 식별자

우선 이름: rac-trans-(2-(((5-Chloropyrimidin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-(4-fluorophenyl)-2-methylthiazol-4-yl)methanone
IUPAC: [(2R,3R)-2-[[(5-chloropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

이름 및 동의어

SCHEMBL15176332HOYRKLOSSPBUHN-ACJLOTCBSA-Nrac-((2R,3R)-2-(((5-chloropyrimidin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-(4-fluorophenyl)-2-methylthiazol-4-yl)methanonerac-trans-(2-(((5-Chloropyrimidin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-(4-fluorophenyl)-2-methylthiazol-4-yl)methanone

데이터베이스 식별자

PubChem CID: 89741474

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 99.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 5
무거운 원자 수: 31
형식 전하: 0
복잡도: 602

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