butyl 4-[(3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]benzoate
butyl 4-[(3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]benzoate
Compound characteristics
| Compound ID: | G857-2226 |
| Compound Name: | butyl 4-[(3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]benzoate |
| Molecular Weight: | 326.36 |
| Molecular Formula: | C16 H18 N6 O2 |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1c2c(ncn1)n(C)nn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9663 |
| logD: | 2.9662 |
| logSw: | -3.3543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.261 |
| InChI Key: | ATQOGESBUAESBC-UHFFFAOYSA-N |