2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-butylacetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-butylacetamide
2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-butylacetamide
Compound characteristics
| Compound ID: | F841-1018 |
| Compound Name: | 2-[(3-benzyl-4-oxo-6-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-butylacetamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CCCCNC(CSC1=Nc2cc(c3ccccc3)[nH]c2C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6746 |
| logD: | 4.6746 |
| logSw: | -4.3094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.579 |
| InChI Key: | XDUYQQAIJSCJCK-UHFFFAOYSA-N |