N-(4-{[2-methyl-6-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[2-methyl-6-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[2-methyl-6-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D430-0477 |
| Compound Name: | N-(4-{[2-methyl-6-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C23 H23 N5 O4 |
| Smiles: | Cc1nc(cc(n1)N1CCOCC1)Nc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8078 |
| logD: | 3.256 |
| logSw: | -4.0066 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.933 |
| InChI Key: | QQPWQKNPDNBOMX-UHFFFAOYSA-N |