N-(3-chloro-4-methoxyphenyl)-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
N-(3-chloro-4-methoxyphenyl)-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0011 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(C1CCC2=C(CC1)NN(C2=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5066 |
| logD: | 3.1442 |
| logSw: | -3.8448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.261 |
| InChI Key: | BUHUVTUFPVJDCU-AWEZNQCLSA-N |