5-[4-(azepan-1-yl)-4-oxobutyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[4-(azepan-1-yl)-4-oxobutyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[4-(azepan-1-yl)-4-oxobutyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0428 |
| Compound Name: | 5-[4-(azepan-1-yl)-4-oxobutyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 406.93 |
| Molecular Formula: | C19 H23 Cl N4 O2 S |
| Smiles: | C1CCCN(CC1)C(CCCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7846 |
| logD: | 3.7814 |
| logSw: | -4.2393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.781 |
| InChI Key: | CWJDCTIRSLUBKO-UHFFFAOYSA-N |