5-(4-{[3-(azepan-1-yl)propyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[3-(azepan-1-yl)propyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[3-(azepan-1-yl)propyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0153 |
| Compound Name: | 5-(4-{[3-(azepan-1-yl)propyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C23 H33 N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CCCC(NCCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4517 |
| logD: | -0.177 |
| logSw: | -2.8809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.228 |
| InChI Key: | ULKVUZAVLRMYSR-UHFFFAOYSA-N |