N-(4-methoxyphenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-methoxyphenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0145 |
| Compound Name: | N-(4-methoxyphenyl)-5-({[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C21 H22 N4 O3 S3 |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CSCC(NCc2ccc(cc2)SC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9353 |
| logD: | 3.9352 |
| logSw: | -4.1416 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | CRNQNRUPNYJVBX-UHFFFAOYSA-N |