N-(2-methylphenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)propyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)propyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)propyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0936 |
| Compound Name: | N-(2-methylphenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)propyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C21 H29 N5 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(NCCCN2CCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6021 |
| logD: | -1.4884 |
| logSw: | -2.3268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.021 |
| InChI Key: | LXHDGNWFJNXMJB-UHFFFAOYSA-N |