6,7-dichloro-2-(4-ethoxy-2-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
6,7-dichloro-2-(4-ethoxy-2-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
6,7-dichloro-2-(4-ethoxy-2-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | 3214-0077 |
| Compound Name: | 6,7-dichloro-2-(4-ethoxy-2-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 399.19 |
| Molecular Formula: | C15 H12 Cl2 N4 O5 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)N1C(Nc2cc(c(cc2N1O)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1512 |
| logD: | 3.1466 |
| logSw: | -4.2744 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.518 |
| InChI Key: | UGQXRQVTHCAORE-UHFFFAOYSA-N |