9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-ynyl]-N3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide (HCID 86693185)

기본 정보

표준 SMILES: CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@@](C)(O)c3noc(C)n3)cc1-2
InChIKey: UCEBOGRFLJGBOO-OAQYLSRUSA-N
분자식: C21H19FN6O5
평균 분자량: 454.4 g/mol

이름 및 식별자

우선 이름: 9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-ynyl]-N3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide
IUPAC: 9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-ynyl]-3-N-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide

이름 및 동의어

CHEMBL3692451SCHEMBL15192958UCEBOGRFLJGBOO-OAQYLSRUSA-NBDBM158622US9034866, 979-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-ynyl]-N3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide

데이터베이스 식별자

PubChem CID: 86693185
ChEMBL: CHEMBL3692451

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 158 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 9
회전 가능 결합 수: 5
무거운 원자 수: 33
형식 전하: 0
복잡도: 849

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