N-(2-methylphenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1196 |
| Compound Name: | N-(2-methylphenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C21 H22 N4 O2 S3 |
| Smiles: | Cc1ccccc1NC(c1nnc(CSCC(NCc2ccc(cc2)SC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.946 |
| logD: | 3.9459 |
| logSw: | -3.9767 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.831 |
| InChI Key: | MQHBKCLGOIPNIW-UHFFFAOYSA-N |