methyl 4-[2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamido]benzoate
methyl 4-[2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | S336-0579 |
| Compound Name: | methyl 4-[2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C16 H18 N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2CCCCC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8385 |
| logD: | 1.8384 |
| logSw: | -2.3552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.508 |
| InChI Key: | JJFCPVYHDKRPKH-UHFFFAOYSA-N |