5-[4-(azepan-1-yl)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[4-(azepan-1-yl)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[4-(azepan-1-yl)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0039 |
| Compound Name: | 5-[4-(azepan-1-yl)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CCCC(N2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0134 |
| logD: | 3.0134 |
| logSw: | -3.6104 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.325 |
| InChI Key: | YVKKDJKHIGMKKO-UHFFFAOYSA-N |