N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3529 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C21 H23 Cl N4 O2 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Cl])n1)NC(c1c2CCCCCc2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4162 |
| logD: | 3.4154 |
| logSw: | -3.8758 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.947 |
| InChI Key: | BRSHXJZQSXYQQI-UHFFFAOYSA-N |