5-({[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}methyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-({[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}methyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-({[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}methyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0038 |
| Compound Name: | 5-({[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}methyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C19 H24 N4 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CSCC(N2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2291 |
| logD: | 3.229 |
| logSw: | -3.6073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.325 |
| InChI Key: | KNCBVDPEGIXUKS-UHFFFAOYSA-N |