2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-chlorophenyl)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-chlorophenyl)acetamide
2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | F841-0937 |
| Compound Name: | 2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 501.01 |
| Molecular Formula: | C27 H21 Cl N4 O2 S |
| Smiles: | C(c1ccccc1)N1C(=Nc2cc(c3ccccc3)[nH]c2C1=O)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9343 |
| logD: | 5.9342 |
| logSw: | -6.2013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.144 |
| InChI Key: | LUEJCXWKABFPPE-UHFFFAOYSA-N |