methyl 5-{[8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}furan-2-carboxylate
methyl 5-{[8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | M113-0584 |
| Compound Name: | methyl 5-{[8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C19 H22 N4 O6 S |
| Smiles: | COC(c1ccc(CN2C(N3C=CC=C(C3=N2)S(N2CCCCCC2)(=O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0951 |
| logD: | 2.0951 |
| logSw: | -2.5138 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.358 |
| InChI Key: | BJHDCUCWBOJBAP-UHFFFAOYSA-N |