methyl {5,6-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl}acetate
Chemical Structure Depiction of
methyl {5,6-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl}acetate
methyl {5,6-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl}acetate
Compound characteristics
| Compound ID: | K820-0111 |
| Compound Name: | methyl {5,6-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl}acetate |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C21 H23 N5 O4 S |
| Smiles: | Cc1c2c(nc(CC(=O)OC)nc2sc1C)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5495 |
| logD: | 4.4938 |
| logSw: | -4.5854 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.511 |
| InChI Key: | JCWKAGLXIXGXOH-UHFFFAOYSA-N |