5-({[2-(butylamino)-2-oxoethyl]sulfanyl}methyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-({[2-(butylamino)-2-oxoethyl]sulfanyl}methyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-({[2-(butylamino)-2-oxoethyl]sulfanyl}methyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1169 |
| Compound Name: | 5-({[2-(butylamino)-2-oxoethyl]sulfanyl}methyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 378.51 |
| Molecular Formula: | C17 H22 N4 O2 S2 |
| Smiles: | CCCCNC(CSCc1nnc(C(Nc2ccccc2C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8804 |
| logD: | 2.8803 |
| logSw: | -3.1235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.944 |
| InChI Key: | CAWHOVMPELTMMA-UHFFFAOYSA-N |