N-(4-chlorophenyl)-4-(nitroimino)-1,3,5-triazinane-1-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4-(nitroimino)-1,3,5-triazinane-1-carboxamide
N-(4-chlorophenyl)-4-(nitroimino)-1,3,5-triazinane-1-carboxamide
Compound characteristics
| Compound ID: | 5044-0036 |
| Compound Name: | N-(4-chlorophenyl)-4-(nitroimino)-1,3,5-triazinane-1-carboxamide |
| Molecular Weight: | 298.69 |
| Molecular Formula: | C10 H11 Cl N6 O3 |
| Smiles: | C1NC(NCN1C(Nc1ccc(cc1)[Cl])=O)=N[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0901 |
| logD: | 1.0875 |
| logSw: | -2.6517 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.168 |
| InChI Key: | HELYVWFPKNQBGX-UHFFFAOYSA-N |