methyl 4-(2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F396-1301 |
| Compound Name: | methyl 4-(2-{[3-(3-methylbutyl)-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: | CC(C)CCN1C(=Nc2c3cccnc3sc2C1=O)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7193 |
| logD: | 4.7193 |
| logSw: | -4.5695 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.245 |
| InChI Key: | DTQVJAYEVDWLCU-UHFFFAOYSA-N |