5-[(4-chlorophenoxy)methyl]-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorophenoxy)methyl]-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(4-chlorophenoxy)methyl]-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0032 |
| Compound Name: | 5-[(4-chlorophenoxy)methyl]-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 492.98 |
| Molecular Formula: | C25 H21 Cl N4 O3 S |
| Smiles: | Cc1ccc(CNC(c2ccc(cc2)NC(c2nnc(COc3ccc(cc3)[Cl])s2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7946 |
| logD: | 4.7879 |
| logSw: | -4.8412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.97 |
| InChI Key: | XHRKLZRSDUFDPQ-UHFFFAOYSA-N |