4-methoxy-3-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4-methoxy-3-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
4-methoxy-3-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-2572 |
| Compound Name: | 4-methoxy-3-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 322.34 |
| Molecular Formula: | C13 H14 N4 O4 S |
| Smiles: | CC(C)c1nnc(NC(c2ccc(c(c2)[N+]([O-])=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5981 |
| logD: | 1.1182 |
| logSw: | -3.2917 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.586 |
| InChI Key: | YTBJESANDWUUDL-UHFFFAOYSA-N |