3-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
3-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | C301-1034 |
| Compound Name: | 3-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol |
| Molecular Weight: | 337.29 |
| Molecular Formula: | C13 H15 N5 O6 |
| Smiles: | C(CNc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O)CO |
| Stereo: | ACHIRAL |
| logP: | -0.1746 |
| logD: | -0.1746 |
| logSw: | -1.9217 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.997 |
| InChI Key: | WMRMTPJJHVJJNG-UHFFFAOYSA-N |