N-(4-cyanophenyl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(4-cyanophenyl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L104-0142 |
| Compound Name: | N-(4-cyanophenyl)-2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C25 H23 N5 O2 S |
| Smiles: | CC(C)N1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(Nc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9098 |
| logD: | 3.9097 |
| logSw: | -3.9863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.143 |
| InChI Key: | BLPXLULAOWZUFU-UHFFFAOYSA-N |