HIT ID: HIT101065728

Cas No: 359826-99-6;6138-21-2

分子式: C14H12N2O6

分子量: 304.258

常用名: methyl 2-{4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetate, MtUng-IN-1

氢键受体数 (HBA): 10

氢键供体数 (HBD): 2

LogP: 0.13

IUPAC: methyl 2-{4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetate

SMILES: [#6]-[#8]-[#6](=O)-[#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1

InChI key: DRJZANBOOKKVTE-UHFFFAOYSA-N