N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3534 |
| Compound Name: | N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C22 H26 N4 O2 |
| Smiles: | Cc1ccccc1Cn1c(C)c(c(C)n1)NC(c1c2CCCCCc2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6125 |
| logD: | 3.6116 |
| logSw: | -3.5947 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.947 |
| InChI Key: | SRXGJIUIEFMOQF-UHFFFAOYSA-N |