5-{[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0525 |
| Compound Name: | 5-{[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C19 H16 Cl F N4 O2 S2 |
| Smiles: | C(c1ccccc1[Cl])NC(CSCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0447 |
| logD: | 4.042 |
| logSw: | -4.2816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.529 |
| InChI Key: | ZHWMZHWIJUOEAW-UHFFFAOYSA-N |