N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Compound characteristics
Compound ID: | C226-3525 |
Compound Name: | N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide |
Molecular Weight: | 405.28 |
Molecular Formula: | C19 H18 Cl2 N4 O2 |
Smiles: | C1CCc2c(C(Nc3cnn(Cc4ccc(cc4[Cl])[Cl])c3)=O)noc2CC1 |
Stereo: | ACHIRAL |
logP: | 4.4728 |
logD: | 4.4707 |
logSw: | -4.4006 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.566 |
InChI Key: | RQZNAVKUBWWGAW-UHFFFAOYSA-N |