N-(4-methylphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0318 |
| Compound Name: | N-(4-methylphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C20 H27 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(CSCC(NCCCN2CCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4364 |
| logD: | -0.6541 |
| logSw: | -2.8198 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.719 |
| InChI Key: | QEFRGLWEHCVQMW-UHFFFAOYSA-N |