5-[(4-chlorophenoxy)methyl]-N-(4-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorophenoxy)methyl]-N-(4-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(4-chlorophenoxy)methyl]-N-(4-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0051 |
| Compound Name: | 5-[(4-chlorophenoxy)methyl]-N-(4-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 492.98 |
| Molecular Formula: | C25 H21 Cl N4 O3 S |
| Smiles: | Cc1cccc(CNC(c2ccc(cc2)NC(c2nnc(COc3ccc(cc3)[Cl])s2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0597 |
| logD: | 5.053 |
| logSw: | -5.2375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.97 |
| InChI Key: | XBJJUWNAECPSBC-UHFFFAOYSA-N |