N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzene-1-sulfonamide
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D430-1239 |
| Compound Name: | N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 454.51 |
| Molecular Formula: | C21 H22 N6 O4 S |
| Smiles: | Cc1nc(cc(n1)N1CCCC1)Nc1ccc(cc1)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3181 |
| logD: | 3.8451 |
| logSw: | -4.2768 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.215 |
| InChI Key: | DFDKJHPTPNNEJY-UHFFFAOYSA-N |