4-[(2R)-7-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N,N-dimethylbutanamide
Chemical Structure Depiction of
4-[(2R)-7-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N,N-dimethylbutanamide
4-[(2R)-7-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N,N-dimethylbutanamide
Compound characteristics
| Compound ID: | N113-0622 |
| Compound Name: | 4-[(2R)-7-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N,N-dimethylbutanamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C24 H31 N5 O3 |
| Smiles: | [H][C@@]1(CCCC(N(C)C)=O)[C@@H]2C[C@@H](CN1)CN(C2)C(c1c2COc3ccccc3c2[nH]n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.312 |
| logD: | -2.224 |
| logSw: | -2.119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.95 |
| InChI Key: | WXJGIKNONLZXKY-GPMSIDNRSA-N |