N-{1-[(2,6-dichlorophenyl)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-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
N-{1-[(2,6-dichlorophenyl)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: | C226-3531 |
| Compound Name: | N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 433.34 |
| Molecular Formula: | C21 H22 Cl2 N4 O2 |
| Smiles: | Cc1c(c(C)n(Cc2c(cccc2[Cl])[Cl])n1)NC(c1c2CCCCCc2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0506 |
| logD: | 4.0498 |
| logSw: | -4.2102 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.947 |
| InChI Key: | MPGIWBFXRCZBKM-UHFFFAOYSA-N |