ethyl 4-(2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8017-0259 |
| Compound Name: | ethyl 4-(2-{[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: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2ccncc2)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2131 |
| logD: | 1.2009 |
| logSw: | -2.5018 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.805 |
| InChI Key: | ASUAGIXEXGHGIC-UHFFFAOYSA-N |