ethyl 3-{2-[(3-chloroanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{2-[(3-chloroanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{2-[(3-chloroanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | D433-1671 |
| Compound Name: | ethyl 3-{2-[(3-chloroanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 389.84 |
| Molecular Formula: | C18 H20 Cl N5 O3 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(CNc3cccc(c3)[Cl])nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9325 |
| logD: | 1.2481 |
| logSw: | -3.5281 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.907 |
| InChI Key: | HTGROJUCNBTQKO-UHFFFAOYSA-N |