2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0578 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C18 H17 N5 O5 |
| Smiles: | Cc1ccc(CNc2c(nn(c3ccc4c(c3)OCCO4)[n+]2[O-])[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0539 |
| logD: | 2.0539 |
| logSw: | -2.5834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.229 |
| InChI Key: | JVJGPIGDAIVFIC-UHFFFAOYSA-N |