N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Compound characteristics
| Compound ID: | K292-1368 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide |
| Molecular Weight: | 596.72 |
| Molecular Formula: | C29 H32 N4 O6 S2 |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3ccsc3C2=O)SCc2ccc(cc2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8282 |
| logD: | 3.8282 |
| logSw: | -3.8995 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.723 |
| InChI Key: | KOOHRLWVEFPILP-UHFFFAOYSA-N |