5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0793 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C18 H22 N4 O3 S |
| Smiles: | C1CCCN(CC1)C(COCc1nnc(C(Nc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9536 |
| logD: | 1.9536 |
| logSw: | -2.4688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.215 |
| InChI Key: | DMKQXDDIGXKURS-UHFFFAOYSA-N |