Baloxavir marboxil
HIT212655764
sdf文件结构编辑类似物检索
HIT ID: HIT212655764
Cas No: 1985606-14-1
分子式: C27H23F2N3O7S
分子量: 571.55
常用名: Baloxavir marboxil
氢键受体数 (HBA): 8
氢键供体数 (HBD): 0
LogP: 3.384471
IUPAC: [(2-{12,13-difluoro-9-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-dien-11-yl)oxy]methyl methyl carbonate
IUPAC: [(2-{12,13-difluoro-9-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-dien-11-yl)oxy]methyl methyl carbonate
SMILES: COC(=O)OCOc1c2C(=O)N3CCOCC3N(C3c4ccc(F)c(F)c4CSc4ccccc34)n2ccc1=O
SMILES: COC(=O)OCOc1c2C(=O)N3CCOCC3N(C3c4ccc(F)c(F)c4CSc4ccccc34)n2ccc1=O
InChI key: RZVPBGBYGMDSBG-UHFFFAOYSA-N
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