N-({4-(3,4-dichlorophenyl)-5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-({4-(3,4-dichlorophenyl)-5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide
N-({4-(3,4-dichlorophenyl)-5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | K400-10184 |
| Compound Name: | N-({4-(3,4-dichlorophenyl)-5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide |
| Molecular Weight: | 586.56 |
| Molecular Formula: | C20 H17 Cl2 N7 O2 S4 |
| Smiles: | CCSc1nnc(NC(CSc2nnc(CNC(c3cccs3)=O)n2c2ccc(c(c2)[Cl])[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.08 |
| logD: | 5.0782 |
| logSw: | -5.4297 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.447 |
| InChI Key: | MAAUIUYFGIKUFJ-UHFFFAOYSA-N |