methyl (2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Chemical Structure Depiction of
methyl (2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
methyl (2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D043-0296 |
| Compound Name: | methyl (2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 361.79 |
| Molecular Formula: | C16 H16 Cl N5 O3 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(NCc1cccc(c1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0519 |
| logD: | 2.0327 |
| logSw: | -3.0145 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.471 |
| InChI Key: | XKJOHCXYVCRPOJ-UHFFFAOYSA-N |