4-methyl-3-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4-methyl-3-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
4-methyl-3-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-4143 |
| Compound Name: | 4-methyl-3-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1nnc(CCCOc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5935 |
| logD: | 2.6977 |
| logSw: | -4.438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.597 |
| InChI Key: | MHUFRHDEQQDNJV-UHFFFAOYSA-N |