2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-cyanophenyl)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-cyanophenyl)acetamide
2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-cyanophenyl)acetamide
Compound characteristics
| Compound ID: | F841-0950 |
| Compound Name: | 2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-cyanophenyl)acetamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C28 H21 N5 O2 S |
| Smiles: | C(c1ccccc1)N1C(=Nc2cc(c3ccccc3)[nH]c2C1=O)SCC(Nc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.994 |
| logD: | 4.9938 |
| logSw: | -4.8602 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.2 |
| InChI Key: | XHQUTDOIHRSKSR-UHFFFAOYSA-N |