N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0053 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C24 H27 N3 O4 |
| Smiles: | COc1ccc(CNC(C2CCC3=C(CC2)NN(C3=O)c2ccccc2)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9044 |
| logD: | 2.542 |
| logSw: | -3.3286 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.127 |
| InChI Key: | PDXTZKZWAYRYIM-MRXNPFEDSA-N |