HIT ID: HIT100725495
Cas No: 501925-31-1
分子式: C13H14ClN3O4
分子量: 311.72
常用名: PNU-120596
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 2.644
IUPAC: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
IUPAC: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILES: COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl
SMILES: COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl
InChI key: CEIIEALEIHQDBX-UHFFFAOYSA-N