N-(2-methoxy-5-nitrophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | 3909-9388 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C21 H23 N5 O4 S |
| Smiles: | CC1CCCCN1c1c2c(C)c(C(Nc3cc(ccc3OC)[N+]([O-])=O)=O)sc2ncn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3736 |
| logD: | 3.512 |
| logSw: | -4.5197 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.229 |
| InChI Key: | KHNKXKIICSOUKV-LBPRGKRZSA-N |