methyl 2-(2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L104-0151 |
| Compound Name: | methyl 2-(2-{[5-methyl-4-oxo-7-phenyl-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C26 H26 N4 O4 S |
| Smiles: | CC(C)N1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.98 |
| logD: | 3.9717 |
| logSw: | -4.1605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.562 |
| InChI Key: | MNPSZKCWMQZOLT-UHFFFAOYSA-N |