methyl 2-[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]propanoate
Chemical Structure Depiction of
methyl 2-[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]propanoate
methyl 2-[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]propanoate
Compound characteristics
| Compound ID: | P047-0315 |
| Compound Name: | methyl 2-[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]propanoate |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C16 H22 N4 O5 S |
| Smiles: | CC(C(=O)OC)N1C(N2C=C(C=CC2=N1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4275 |
| logD: | 1.4275 |
| logSw: | -1.8298 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.82 |
| InChI Key: | NWHBQOPIPGINIL-LBPRGKRZSA-N |