1-[4-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)phenyl]ethan-1-one
1-[4-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | D203-0046 |
| Compound Name: | 1-[4-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)phenyl]ethan-1-one |
| Molecular Weight: | 527 |
| Molecular Formula: | C24 H23 Cl N6 O4 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCC(CC1)c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8947 |
| logD: | 2.4407 |
| logSw: | -3.3594 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.091 |
| InChI Key: | LBAJBEVOKCMVGJ-UHFFFAOYSA-N |