N-(3-chlorophenyl)-5-{[(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0359 |
| Compound Name: | N-(3-chlorophenyl)-5-{[(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 433.94 |
| Molecular Formula: | C18 H16 Cl N5 O2 S2 |
| Smiles: | C(c1cccnc1)NC(CSCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7595 |
| logD: | 2.7538 |
| logSw: | -3.5013 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.047 |
| InChI Key: | YFKSYFMYJAVFFA-UHFFFAOYSA-N |