4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl butanoate
Chemical Structure Depiction of
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl butanoate
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl butanoate
Compound characteristics
| Compound ID: | 8013-4023 |
| Compound Name: | 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl butanoate |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C30 H31 N O4 |
| Smiles: | CCCC(=O)Oc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2289 |
| logD: | 6.2289 |
| logSw: | -6.8626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.703 |
| InChI Key: | WNMXIOPERNGVGC-LJAQVGFWSA-N |