4-(11,11-dimethyl-9-oxo-7,8,9,10,11,12-hexahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxyphenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-(11,11-dimethyl-9-oxo-7,8,9,10,11,12-hexahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxyphenyl 4-chlorobenzoate
4-(11,11-dimethyl-9-oxo-7,8,9,10,11,12-hexahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxyphenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 6031-0127 |
| Compound Name: | 4-(11,11-dimethyl-9-oxo-7,8,9,10,11,12-hexahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxyphenyl 4-chlorobenzoate |
| Molecular Weight: | 539.03 |
| Molecular Formula: | C32 H27 Cl N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OC(c3ccc(cc3)[Cl])=O)Nc3ccc4c(cccn4)c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3701 |
| logD: | 6.3699 |
| logSw: | -6.543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.061 |
| InChI Key: | QEACVMGJIXXCDS-PMERELPUSA-N |