N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0041 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C21 H23 N3 O3 |
| Smiles: | Cc1ccc(CNC(C2CCC3=C(CC2)NN(C3=O)c2ccccc2)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7423 |
| logD: | 2.3799 |
| logSw: | -2.9479 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.216 |
| InChI Key: | NYGZOZPQSAOHPZ-OAHLLOKOSA-N |