(s)-5-(4-Methyl-5-trifluoromethyl-isoxazol-3-yl)-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide (HCID 57606122)

기본 정보

표준 SMILES: Cc1c(-c2ccc(C(=O)N[C@@H]3CN4CCC3CC4)s2)noc1C(F)(F)F
InChIKey: GMMQKGRFTSALNQ-LLVKDONJSA-N
분자식: C17H18F3N3O2S
평균 분자량: 385.4 g/mol
단동위원소 질량: 385.10718249

이름 및 식별자

우선 이름: (s)-5-(4-Methyl-5-trifluoromethyl-isoxazol-3-yl)-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
IUPAC: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide

이름 및 동의어

(s)-5-(4-methyl-5-trifluoromethyl-isoxazol-3-yl)-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amideSCHEMBL8094249(S)-5-(4-Methyl-5-trifluoromethyl-isoxazol-3-yl)-thiophene-2-carboxylic acid (1-aza -bicyclo[2.2.2]oct-3-yl)-amide

데이터베이스 식별자

PubChem CID: 57606122

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 86.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 26
형식 전하: 0
복잡도: 542

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