methyl 4-({5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
methyl 4-({5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
Compound characteristics
| Compound ID: | D023-0042 |
| Compound Name: | methyl 4-({5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate |
| Molecular Weight: | 543 |
| Molecular Formula: | C24 H23 Cl N6 O5 S |
| Smiles: | COC(c1ccc(Cn2c3c(c(nc(C4CCCN(C4)S(c4cccc(c4)[Cl])(=O)=O)n3)O)nn2)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2447 |
| logD: | 2.7907 |
| logSw: | -3.5583 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.372 |
| InChI Key: | VCHWHWUAELGUDH-KRWDZBQOSA-N |