8-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
8-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0392 |
| Compound Name: | 8-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 447.52 |
| Molecular Formula: | C22 H21 N7 O2 S |
| Smiles: | CCOc1ccc(CSc2nc3C(NC(C)=Nc3n2C)=O)cc1n1nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7957 |
| logD: | 3.7948 |
| logSw: | -3.87 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.356 |
| InChI Key: | UWTZZMDLSYUBOU-UHFFFAOYSA-N |