methyl 4-(2-{[5,6-di(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5,6-di(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5,6-di(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 5518-1890 |
| Compound Name: | methyl 4-(2-{[5,6-di(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C21 H16 N4 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc(c(c2ccco2)nn1)c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2228 |
| logD: | 3.2227 |
| logSw: | -3.5185 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.865 |
| InChI Key: | KAUAYKAQCXGRQR-UHFFFAOYSA-N |