2-(6-benzyl-2-ethyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[(2-bromophenyl)methyl]acetamide
Chemical Structure Depiction of
2-(6-benzyl-2-ethyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[(2-bromophenyl)methyl]acetamide
2-(6-benzyl-2-ethyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[(2-bromophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L681-0150 |
| Compound Name: | 2-(6-benzyl-2-ethyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[(2-bromophenyl)methyl]acetamide |
| Molecular Weight: | 496.36 |
| Molecular Formula: | C23 H22 Br N5 O3 |
| Smiles: | CCn1cc2c(C(N(Cc3ccccc3)C(N2CC(NCc2ccccc2[Br])=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2362 |
| logD: | 3.2362 |
| logSw: | -3.1851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.878 |
| InChI Key: | VXOGLKYKPSCPKP-UHFFFAOYSA-N |