N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G754-0409 |
| Compound Name: | N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C22 H19 N7 O3 S2 |
| Smiles: | CC1=Nc2c(cc(C)s2)C(N1NC(CSc1nc2C(NC=Nc2n1c1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9951 |
| logD: | 1.9939 |
| logSw: | -2.8797 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.683 |
| InChI Key: | QFSPGQWGDRFYQQ-UHFFFAOYSA-N |