HIT ID: HIT101504053

Cas No: 852838-07-4

分子式: C18H16BrN3O4

分子量: 418.247

常用名: Tec-IN-14

氢键受体数 (HBA): 4

氢键供体数 (HBD): 1

LogP: 2.673

IUPAC: {7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

SMILES: CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1C

InChI key: FSNZIHKIOIUBHQ-UHFFFAOYSA-N