N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Chemical Structure Depiction of
N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Compound characteristics
| Compound ID: | C592-3429 |
| Compound Name: | N-{[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C22 H21 N7 O3 S2 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(COc3ccccc3)=O)n2c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.1627 |
| logD: | 2.122 |
| logSw: | -2.5959 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.16 |
| InChI Key: | NJCWDIWRQHEOPR-UHFFFAOYSA-N |