1-(adamantan-1-yl)-N-[4-(morpholin-4-yl)phenyl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-[4-(morpholin-4-yl)phenyl]-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-[4-(morpholin-4-yl)phenyl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E558-0232 |
| Compound Name: | 1-(adamantan-1-yl)-N-[4-(morpholin-4-yl)phenyl]-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C24 H29 N5 O4 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(Nc2ccc(cc2)N2CCOCC2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.089 |
| logD: | 4.0844 |
| logSw: | -4.2579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.367 |
| InChI Key: | LHNDPFMLSUYMSI-UHFFFAOYSA-N |