4,5-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4,5-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
4,5-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-4173 |
| Compound Name: | 4,5-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C20 H20 N4 O5 S |
| Smiles: | COc1cc(C(Nc2nnc(CCCc3ccccc3)s2)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3678 |
| logD: | 2.1752 |
| logSw: | -4.4362 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.44 |
| InChI Key: | OIBXOGHXYYXFFK-UHFFFAOYSA-N |