5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0231 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C19 H24 N4 O3 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(COCC(N2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5688 |
| logD: | 2.5687 |
| logSw: | -2.9852 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.215 |
| InChI Key: | ROLWZNKFAYZJQR-UHFFFAOYSA-N |