methyl 4-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | IB08-6228 |
| Compound Name: | methyl 4-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | Cn1c(c2ccncc2)nnc1SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.06 |
| logD: | 2.05 |
| logSw: | -2.5 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.14 |
| InChI Key: | ANBKMKSYOSGMIV-UHFFFAOYSA-N |