N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0558 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide |
| Molecular Weight: | 366.8 |
| Molecular Formula: | C16 H19 Cl N4 O4 |
| Smiles: | COc1cc(c(cc1NC(CN1C(N2CCCCC2=N1)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.0465 |
| logD: | 2.0431 |
| logSw: | -2.9974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.897 |
| InChI Key: | FBPPTIVYFPFMMN-UHFFFAOYSA-N |