3-methyl-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
3-methyl-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
3-methyl-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-4195 |
| Compound Name: | 3-methyl-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | Cc1cccc(C(Nc2nnc(CCCc3ccccc3)s2)=O)c1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1829 |
| logD: | 1.5432 |
| logSw: | -5.0643 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.878 |
| InChI Key: | WPVCTOLMLYWHIJ-UHFFFAOYSA-N |