5-(4-{[(2-chlorophenyl)methyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[(2-chlorophenyl)methyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[(2-chlorophenyl)methyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0802 |
| Compound Name: | 5-(4-{[(2-chlorophenyl)methyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C21 H21 Cl N4 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(NCc2ccccc2[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6048 |
| logD: | 3.6047 |
| logSw: | -3.7623 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.831 |
| InChI Key: | XLIWIFIVOGNNOB-UHFFFAOYSA-N |