N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2,5-dimethyl-4-(morpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2,5-dimethyl-4-(morpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2,5-dimethyl-4-(morpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K823-1679 |
| Compound Name: | N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2,5-dimethyl-4-(morpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 539.61 |
| Molecular Formula: | C25 H22 F N5 O4 S2 |
| Smiles: | Cc1c2c(nc(C)nc2sc1C(Nc1cc(cc(c1)Sc1ccc(cc1)F)[N+]([O-])=O)=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.9602 |
| logD: | 5.9181 |
| logSw: | -5.7662 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.022 |
| InChI Key: | HUPFFDVLZIBHSC-UHFFFAOYSA-N |