N-[(4-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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: | L104-0195 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-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: | 481.02 |
| Molecular Formula: | C25 H25 Cl N4 O2 S |
| Smiles: | CC(C)N1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5314 |
| logD: | 4.5314 |
| logSw: | -4.821 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.409 |
| InChI Key: | RRLTYUBKRQJEHQ-UHFFFAOYSA-N |