N-[(4-methylphenyl)methyl]-6-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-6-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
N-[(4-methylphenyl)methyl]-6-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Compound characteristics
| Compound ID: | K292-1161 |
| Compound Name: | N-[(4-methylphenyl)methyl]-6-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C27 H28 N4 O4 S2 |
| Smiles: | Cc1ccc(CNC(CCCCCN2C(=Nc3ccsc3C2=O)SCc2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9598 |
| logD: | 4.9598 |
| logSw: | -4.4222 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.621 |
| InChI Key: | SRPKSHCODTWVHH-UHFFFAOYSA-N |