2,5-dimethyl-4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2,5-dimethyl-4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
2,5-dimethyl-4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K823-2395 |
| Compound Name: | 2,5-dimethyl-4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 426.5 |
| Molecular Formula: | C20 H22 N6 O3 S |
| Smiles: | Cc1c2c(nc(C)nc2sc1C(Nc1cccc(c1)[N+]([O-])=O)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.7095 |
| logD: | 3.2451 |
| logSw: | -4.0506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.862 |
| InChI Key: | KYUPHIWXTHQIND-UHFFFAOYSA-N |