N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3-nitrobenzamide
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-8186 |
| Compound Name: | N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 265.29 |
| Molecular Formula: | C11 H11 N3 O3 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(NC1=NCCS1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0366 |
| logD: | 2.0084 |
| logSw: | -2.7587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.857 |
| InChI Key: | DKCCMCFOWCUTIH-UHFFFAOYSA-N |