5-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
5-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
5-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3872 |
| Compound Name: | 5-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C24 H29 Cl N4 O2 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2[Cl])n1)NC(c1c2CC(CCc2on1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6561 |
| logD: | 4.6552 |
| logSw: | -4.6469 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.616 |
| InChI Key: | WTAKMPLYJOLDIH-QGZVFWFLSA-N |