4-(9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridin-12-yl)-2-ethoxyphenyl butanoate
Chemical Structure Depiction of
4-(9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridin-12-yl)-2-ethoxyphenyl butanoate
4-(9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridin-12-yl)-2-ethoxyphenyl butanoate
Compound characteristics
| Compound ID: | 8016-4417 |
| Compound Name: | 4-(9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridin-12-yl)-2-ethoxyphenyl butanoate |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C31 H33 N O4 |
| Smiles: | CCCC(=O)Oc1ccc(cc1OCC)C1C2=C(CC(C)(C)CC2=O)Nc2ccc3ccccc3c12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5128 |
| logD: | 6.506 |
| logSw: | -6.9599 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.349 |
| InChI Key: | MJMSWWMSKHLBBM-NDEPHWFRSA-N |