3-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
3-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
3-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-4132 |
| Compound Name: | 3-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C18 H16 N4 O3 S |
| Smiles: | C(Cc1ccccc1)Cc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.793 |
| logD: | 2.996 |
| logSw: | -4.8849 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.48 |
| InChI Key: | WULXHFBSGYYDBW-UHFFFAOYSA-N |