5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0346 |
| Compound Name: | 5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(COCC(NCCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2704 |
| logD: | -0.3583 |
| logSw: | -2.901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.118 |
| InChI Key: | PORMZWIWFDFPJX-UHFFFAOYSA-N |