N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K889-0916 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CC1CCN(CC1)c1c2c(C)c(C(Nc3cc(ccc3OC)[N+]([O-])=O)=O)sc2nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9438 |
| logD: | 4.0822 |
| logSw: | -4.9165 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.318 |
| InChI Key: | ICWHPVSHYOIDAN-UHFFFAOYSA-N |