2-(4-chlorophenoxy)-N-({5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)acetamide
Chemical Structure Depiction of
2-(4-chlorophenoxy)-N-({5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)acetamide
2-(4-chlorophenoxy)-N-({5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)acetamide
Compound characteristics
| Compound ID: | K400-08292 |
| Compound Name: | 2-(4-chlorophenoxy)-N-({5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)acetamide |
| Molecular Weight: | 594.11 |
| Molecular Formula: | C23 H21 Cl F N7 O3 S3 |
| Smiles: | CCSc1nnc(NC(CSc2nnc(CNC(COc3ccc(cc3)[Cl])=O)n2c2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4524 |
| logD: | 4.4506 |
| logSw: | -4.5354 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.715 |
| InChI Key: | NSAZEZJUZQVQEI-UHFFFAOYSA-N |