3-amino-4-(4-methylphenyl)-N-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Chemical Structure Depiction of
3-amino-4-(4-methylphenyl)-N-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
3-amino-4-(4-methylphenyl)-N-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | K891-0142 |
| Compound Name: | 3-amino-4-(4-methylphenyl)-N-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C24 H20 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1c2CCCc2nc2c1c(c(C(Nc1ccc(cc1)[N+]([O-])=O)=O)s2)N |
| Stereo: | ACHIRAL |
| logP: | 5.7827 |
| logD: | 5.7789 |
| logSw: | -5.7948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.334 |
| InChI Key: | DEGZFHKJEPKEKY-UHFFFAOYSA-N |