methyl 2-{2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F396-1082 |
| Compound Name: | methyl 2-{2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C23 H22 N4 O4 S2 |
| Smiles: | CCCCN1C(=Nc2c3cccnc3sc2C1=O)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0381 |
| logD: | 4.0298 |
| logSw: | -4.0135 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.547 |
| InChI Key: | FRTUXEMVONXCJG-UHFFFAOYSA-N |