2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (4-nitrophenyl)carbamate
Chemical Structure Depiction of
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (4-nitrophenyl)carbamate
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (4-nitrophenyl)carbamate
Compound characteristics
| Compound ID: | 1561-0022 |
| Compound Name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (4-nitrophenyl)carbamate |
| Molecular Weight: | 335.27 |
| Molecular Formula: | C13 H13 N5 O6 |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CCOC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0858 |
| logD: | 2.0587 |
| logSw: | -2.6665 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.786 |
| InChI Key: | REGTTWAVUJCVDR-UHFFFAOYSA-N |