N-(4-cyanophenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(4-cyanophenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L104-0656 |
| Compound Name: | N-(4-cyanophenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Smiles: | Cn1cc(c2ccccc2)c2c1C(N(CCOC)C(=N2)SCC(Nc1ccc(C#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0605 |
| logD: | 3.0604 |
| logSw: | -3.5418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.743 |
| InChI Key: | XLZAICGWNZGYNU-UHFFFAOYSA-N |