2,2-dimethyl-5-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8007-8280 |
| Compound Name: | 2,2-dimethyl-5-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C31 H33 N3 O3 |
| Smiles: | CC1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7664 |
| logD: | 6.7664 |
| logSw: | -6.8214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.164 |
| InChI Key: | RKDPORWKJYXGOS-PMERELPUSA-N |