2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
Compound ID: | C437-0131 |
Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
Molecular Weight: | 397.39 |
Molecular Formula: | C19 H19 N5 O5 |
Smiles: | Cc1ccc(CCNc2c(nn(c3ccc4c(c3)OCCO4)[n+]2[O-])[N+]([O-])=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.4105 |
logD: | 2.4105 |
logSw: | -2.6639 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.07 |
InChI Key: | LECHKFKINQZJFM-UHFFFAOYSA-N |