N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | P721-0862 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Smiles: | Cc1ccc(cc1)NC(Cn1c(cc(C)n1)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1019 |
| logD: | 2.1013 |
| logSw: | -2.9431 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.067 |
| InChI Key: | YGMPBSVYTOTRHE-UHFFFAOYSA-N |