N-(3-chlorophenyl)-5-{[(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0487 |
| Compound Name: | N-(3-chlorophenyl)-5-{[(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C19 H16 Cl F N4 O2 S2 |
| Smiles: | C(c1ccccc1F)NC(CSCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3616 |
| logD: | 4.3583 |
| logSw: | -4.5615 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.529 |
| InChI Key: | QPKZIORCEBSNQL-UHFFFAOYSA-N |