methyl [8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Chemical Structure Depiction of
methyl [8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
methyl [8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | M113-0541 |
| Compound Name: | methyl [8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C15 H20 N4 O5 S |
| Smiles: | COC(CN1C(N2C=CC=C(C2=N1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7892 |
| logD: | 0.7892 |
| logSw: | -1.5169 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.194 |
| InChI Key: | QUXVNJYGNLCGTQ-UHFFFAOYSA-N |