6-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Chemical Structure Depiction of
6-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
6-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Compound characteristics
| Compound ID: | K292-1369 |
| Compound Name: | 6-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide |
| Molecular Weight: | 604.16 |
| Molecular Formula: | C29 H31 Cl F N3 O4 S2 |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3ccsc3C2=O)SCc2ccc(cc2[Cl])F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0797 |
| logD: | 5.0797 |
| logSw: | -5.4315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.342 |
| InChI Key: | NKEBEOPZMOFJHG-UHFFFAOYSA-N |