methyl 2-{2-[(3-cyclohexyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-cyclohexyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-cyclohexyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K292-0979 |
| Compound Name: | methyl 2-{2-[(3-cyclohexyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C22 H23 N3 O4 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1C1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1433 |
| logD: | 4.135 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.636 |
| InChI Key: | CYLYXWDCFCGUJP-UHFFFAOYSA-N |