N-(2-methylphenyl)-5-{[(2-oxo-2-{[3-(piperidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-{[(2-oxo-2-{[3-(piperidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-{[(2-oxo-2-{[3-(piperidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1184 |
| Compound Name: | N-(2-methylphenyl)-5-{[(2-oxo-2-{[3-(piperidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 447.62 |
| Molecular Formula: | C21 H29 N5 O2 S2 |
| Smiles: | Cc1ccccc1NC(c1nnc(CSCC(NCCCN2CCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3704 |
| logD: | -0.2838 |
| logSw: | -2.6313 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.655 |
| InChI Key: | ZDFBTCBFKPTEAX-UHFFFAOYSA-N |