ethyl 4-{[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]sulfamoyl}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]sulfamoyl}benzoate
ethyl 4-{[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]sulfamoyl}benzoate
Compound characteristics
| Compound ID: | K284-4874 |
| Compound Name: | ethyl 4-{[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]sulfamoyl}benzoate |
| Molecular Weight: | 563.61 |
| Molecular Formula: | C26 H21 N5 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)S(NN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=CC=CC2=N1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2764 |
| logD: | 2.2756 |
| logSw: | -2.8242 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.599 |
| InChI Key: | IVGGREOTPDBNGA-UHFFFAOYSA-N |