N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V015-5366 |
| Compound Name: | N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C30 H30 N4 O4 |
| Smiles: | CC(C)N(CC(Nc1c(c2ccccc2)c(C)nn1c1ccc(C)cc1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1756 |
| logD: | 5.1755 |
| logSw: | -5.0816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.276 |
| InChI Key: | XGDWTQIBDLHGEE-UHFFFAOYSA-N |