1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-3985 |
| Compound Name: | 1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C21 H23 N7 O4 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nc3ccccc3n2CC(N2CCOCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7732 |
| logD: | 1.7523 |
| logSw: | -2.2755 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.908 |
| InChI Key: | SOJGVZBBNNGDOX-UHFFFAOYSA-N |