5-(4-{[2-(4-chlorophenyl)ethyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[2-(4-chlorophenyl)ethyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(4-{[2-(4-chlorophenyl)ethyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0596 |
| Compound Name: | 5-(4-{[2-(4-chlorophenyl)ethyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C21 H21 Cl N4 O2 S |
| Smiles: | C(CC(NCCc1ccc(cc1)[Cl])=O)Cc1nnc(C(Nc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0074 |
| logD: | 3.0074 |
| logSw: | -3.6945 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.37 |
| InChI Key: | SPWMLAVTBHTXLF-UHFFFAOYSA-N |