2-(2-chlorophenyl)-1-(4-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-1-(4-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
2-(2-chlorophenyl)-1-(4-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D122-0041 |
| Compound Name: | 2-(2-chlorophenyl)-1-(4-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1cccs1)nn2)O)C(Cc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1897 |
| logD: | 2.7357 |
| logSw: | -3.1163 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.693 |
| InChI Key: | TWIBOJIXNODGID-UHFFFAOYSA-N |