8-nitro-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine
Chemical Structure Depiction of
8-nitro-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine
8-nitro-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine
Compound characteristics
| Compound ID: | 8016-1914 |
| Compound Name: | 8-nitro-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine |
| Molecular Weight: | 353.36 |
| Molecular Formula: | C16 H11 N5 O3 S |
| Smiles: | C(c1nnc2n1N=Cc1cc(ccc1S2)[N+]([O-])=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9352 |
| logD: | 2.9351 |
| logSw: | -3.3798 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.106 |
| InChI Key: | DVBOSLDONQPVGM-UHFFFAOYSA-N |