[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile
[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | 3448-3394 |
| Compound Name: | [(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C16 H15 N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)SCC#N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4497 |
| logD: | 2.4497 |
| logSw: | -2.5595 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.778 |
| InChI Key: | OXCFRMWKDRUXIM-UHFFFAOYSA-N |