N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-nitrobenzamide
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | D430-0359 |
| Compound Name: | N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-nitrobenzamide |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C22 H22 N6 O3 |
| Smiles: | Cc1nc(cc(n1)N1CCCC1)Nc1ccc(cc1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2975 |
| logD: | 3.9985 |
| logSw: | -4.3581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.356 |
| InChI Key: | ZCDZZBWOWCXCBO-UHFFFAOYSA-N |