methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L104-0659 |
| Compound Name: | methyl 4-(2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C26 H26 N4 O5 S |
| Smiles: | Cn1cc(c2ccccc2)c2c1C(N(CCOC)C(=N2)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4968 |
| logD: | 3.4968 |
| logSw: | -3.6619 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.86 |
| InChI Key: | OUMZOIVFQXCBFP-UHFFFAOYSA-N |