ethyl 2-(2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F396-1135 |
| Compound Name: | ethyl 2-(2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C24 H24 N4 O4 S2 |
| Smiles: | CCOC(c1ccccc1NC(CSC1=Nc2c3cccnc3sc2C(N1CC(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5595 |
| logD: | 4.5512 |
| logSw: | -4.2749 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.148 |
| InChI Key: | XLMRGNGZADAOJN-UHFFFAOYSA-N |