2-(nitroimino)-1,3-diazinan-5-yl (4-chlorophenyl)carbamate
Chemical Structure Depiction of
2-(nitroimino)-1,3-diazinan-5-yl (4-chlorophenyl)carbamate
2-(nitroimino)-1,3-diazinan-5-yl (4-chlorophenyl)carbamate
Compound characteristics
| Compound ID: | 5044-0035 |
| Compound Name: | 2-(nitroimino)-1,3-diazinan-5-yl (4-chlorophenyl)carbamate |
| Molecular Weight: | 313.7 |
| Molecular Formula: | C11 H12 Cl N5 O4 |
| Smiles: | C1C(CNC(N1)=N[N+]([O-])=O)OC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5298 |
| logD: | 1.1351 |
| logSw: | -2.6761 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.485 |
| InChI Key: | CHYGGRCCJVVVMM-UHFFFAOYSA-N |