HIT ID: HIT212682535
Cas No:
分子式: C45H62ClN7O11
分子量: 912.48
常用名: Coumarin-TMP-Halo
氢键受体数 (HBA): 14
氢键供体数 (HBD): 4
LogP: 4.472472
IUPAC: [7-(diethylamino)-2-oxo-2H-chromen-4-yl]methyl N-(4-amino-5-{[4-(3-{3-[(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)carbamoyl]propanamido}propoxy)-3,5-dimethoxyphenyl]methyl}pyrimidin-2-yl)carbamate
IUPAC: [7-(diethylamino)-2-oxo-2H-chromen-4-yl]methyl N-(4-amino-5-{[4-(3-{3-[(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)carbamoyl]propanamido}propoxy)-3,5-dimethoxyphenyl]methyl}pyrimidin-2-yl)carbamate
SMILES: CCN(CC)c1ccc2c(COC(=O)Nc3ncc(Cc4cc(OC)c(OCCCNC(=O)CCC(=O)NCCOCCOCCCCCCCl)c(OC)c4)c(N)n3)cc(=O)oc2c1
SMILES: CCN(CC)c1ccc2c(COC(=O)Nc3ncc(Cc4cc(OC)c(OCCCNC(=O)CCC(=O)NCCOCCOCCCCCCCl)c(OC)c4)c(N)n3)cc(=O)oc2c1
InChI key: VQMHJXSEKFTQTQ-UHFFFAOYSA-N
