N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | C094-1632 |
| Compound Name: | N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C29 H34 N4 O5 |
| Smiles: | CCC(C)(C(NC1CCCC1)=O)N(C1=C(C)N(C)N(C1=O)c1ccccc1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6379 |
| logD: | 3.6379 |
| logSw: | -3.892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.001 |
| InChI Key: | CXKBKOYENGIEBA-LJAQVGFWSA-N |