6-{[benzyl(methyl)amino]methyl}-2-[4-(3-nitrobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[benzyl(methyl)amino]methyl}-2-[4-(3-nitrobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-{[benzyl(methyl)amino]methyl}-2-[4-(3-nitrobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V029-1100 |
| Compound Name: | 6-{[benzyl(methyl)amino]methyl}-2-[4-(3-nitrobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 462.51 |
| Molecular Formula: | C24 H26 N6 O4 |
| Smiles: | CN(CC1=CC(NC(=N1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.888 |
| logD: | -0.6284 |
| logSw: | -2.746 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.045 |
| InChI Key: | BKWOFHGFQNWPQF-UHFFFAOYSA-N |