5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0427 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethoxy]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 408.91 |
| Molecular Formula: | C18 H21 Cl N4 O3 S |
| Smiles: | C1CCCN(CC1)C(COCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8989 |
| logD: | 2.8957 |
| logSw: | -3.58 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.215 |
| InChI Key: | AJZMPFFPDPIWPS-UHFFFAOYSA-N |