2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]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-[(3-methoxyphenyl)methyl]acetamide
2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F841-1003 |
| Compound Name: | 2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C29 H26 N4 O3 S |
| Smiles: | COc1cccc(CNC(CSC2=Nc3cc(c4ccccc4)[nH]c3C(N2Cc2ccccc2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1182 |
| logD: | 5.1182 |
| logSw: | -4.9872 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.01 |
| InChI Key: | RIMQNFGNLVGJOO-UHFFFAOYSA-N |