5-[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0559 |
| Compound Name: | 5-[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 480.03 |
| Molecular Formula: | C22 H30 Cl N5 O3 S |
| Smiles: | CC(CCNC(COCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O)N1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8146 |
| logD: | -0.1758 |
| logSw: | -3.5614 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.776 |
| InChI Key: | SWVNELSPMUXFID-INIZCTEOSA-N |