2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F841-1008 |
| Compound Name: | 2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 494.62 |
| Molecular Formula: | C29 H26 N4 O2 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3cc(c4ccccc4)[nH]c3C(N2Cc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4443 |
| logD: | 5.4443 |
| logSw: | -5.3464 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.466 |
| InChI Key: | KMQLOOPYZWNYBF-UHFFFAOYSA-N |