1,3,7-trimethyl-8-({2-[2-(phenylmethanesulfonyl)-1H-benzimidazol-1-yl]ethyl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-({2-[2-(phenylmethanesulfonyl)-1H-benzimidazol-1-yl]ethyl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-({2-[2-(phenylmethanesulfonyl)-1H-benzimidazol-1-yl]ethyl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-1640 |
| Compound Name: | 1,3,7-trimethyl-8-({2-[2-(phenylmethanesulfonyl)-1H-benzimidazol-1-yl]ethyl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 524.62 |
| Molecular Formula: | C24 H24 N6 O4 S2 |
| Smiles: | CN1C(c2c(nc(n2C)SCCn2c3ccccc3nc2S(Cc2ccccc2)(=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2246 |
| logD: | 3.2246 |
| logSw: | -3.4593 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.993 |
| InChI Key: | CCVCRWAMLLLNCI-UHFFFAOYSA-N |