N-(4-acetylphenyl)-2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-(4-acetylphenyl)-2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | C656-0492 |
| Compound Name: | N-(4-acetylphenyl)-2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 422.83 |
| Molecular Formula: | C20 H15 Cl N6 O3 |
| Smiles: | CC(c1ccc(cc1)NC(CN1C=Nc2c(C1=O)nnn2c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0698 |
| logD: | 2.0697 |
| logSw: | -3.2204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.134 |
| InChI Key: | OKFBVDIISRQXMM-UHFFFAOYSA-N |