{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | L105-0183 |
| Compound Name: | {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C20 H22 N4 O S |
| Smiles: | CC(C)CCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 3.7523 |
| logD: | 3.7523 |
| logSw: | -3.7894 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.958 |
| InChI Key: | MCJVKTCDSIIHBX-UHFFFAOYSA-N |