N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | D178-0048 |
| Compound Name: | N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 383.38 |
| Molecular Formula: | C18 H13 N3 O5 S |
| Smiles: | C1C(c2csc(NC(c3cccc(c3)[N+]([O-])=O)=O)n2)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1976 |
| logD: | 3.0416 |
| logSw: | -4.4712 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.923 |
| InChI Key: | XJPOYXWMAMNWGR-INIZCTEOSA-N |