3-nitro-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}benzamide
Chemical Structure Depiction of
3-nitro-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}benzamide
3-nitro-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | 1502-0544 |
| Compound Name: | 3-nitro-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}benzamide |
| Molecular Weight: | 384.37 |
| Molecular Formula: | C17 H12 N4 O5 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)c1cnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3204 |
| logD: | 3.8985 |
| logSw: | -4.3377 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.389 |
| InChI Key: | CRBHQOMDQNYXQX-UHFFFAOYSA-N |