5-tert-butyl-N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
5-tert-butyl-N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
5-tert-butyl-N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3867 |
| Compound Name: | 5-tert-butyl-N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 447.36 |
| Molecular Formula: | C22 H24 Cl2 N4 O2 |
| Smiles: | CC(C)(C)C1CCc2c(C1)c(C(Nc1cnn(Cc3ccc(cc3[Cl])[Cl])c1)=O)no2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6512 |
| logD: | 5.6491 |
| logSw: | -5.8968 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.235 |
| InChI Key: | PORSHRGDSAHHFY-CQSZACIVSA-N |