5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0220 |
| Compound Name: | 5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C19 H18 N4 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(c1nnc(SCC(NCc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1368 |
| logD: | 3.1368 |
| logSw: | -3.606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.938 |
| InChI Key: | XBWTZNXCWTWIAQ-UHFFFAOYSA-N |