N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Compound characteristics
| Compound ID: | K292-1367 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide |
| Molecular Weight: | 599.73 |
| Molecular Formula: | C28 H33 N5 O6 S2 |
| Smiles: | Cc1cc(NC(CSC2=Nc3ccsc3C(N2CCCCCC(NCCc2ccc(c(c2)OC)OC)=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.9523 |
| logD: | 2.941 |
| logSw: | -3.368 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.286 |
| InChI Key: | UDIJIMUPVIYBGG-UHFFFAOYSA-N |