2-chloro-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
2-chloro-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V007-9026 |
| Compound Name: | 2-chloro-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 507.93 |
| Molecular Formula: | C25 H22 Cl N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nc(nn1c1ccc(cc1)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)OCCOC |
| Stereo: | ACHIRAL |
| logP: | 4.7559 |
| logD: | 4.7548 |
| logSw: | -4.9781 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.923 |
| InChI Key: | PDUQDKISOULHHA-UHFFFAOYSA-N |