N-(2H-1,3-benzodioxol-5-yl)-N'-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)urea
N-(2H-1,3-benzodioxol-5-yl)-N'-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)urea
Compound characteristics
| Compound ID: | D577-0132 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)urea |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C21 H22 N6 O3 |
| Smiles: | CCNc1nc(C)cc(Nc2ccc(cc2)NC(Nc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5783 |
| logD: | 3.4953 |
| logSw: | -4.3464 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.78 |
| InChI Key: | NIZBLGNBZCGZNC-UHFFFAOYSA-N |