5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0348 |
| Compound Name: | 5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(COCC(NCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1472 |
| logD: | 0.4146 |
| logSw: | -2.8142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.118 |
| InChI Key: | CQPXYYUPGXGCPK-UHFFFAOYSA-N |