2-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
2-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
2-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-4133 |
| Compound Name: | 2-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C18 H16 N4 O4 S |
| Smiles: | C(Cc1nnc(NC(c2ccccc2[N+]([O-])=O)=O)s1)COc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9341 |
| logD: | 0.8321 |
| logSw: | -4.1794 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.597 |
| InChI Key: | GBTALNHFGAYDJT-UHFFFAOYSA-N |