methyl 4-(3-methyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthrolin-12-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-methyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthrolin-12-yl)benzoate
methyl 4-(3-methyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthrolin-12-yl)benzoate
Compound characteristics
Compound ID: | 8012-4780 |
Compound Name: | methyl 4-(3-methyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthrolin-12-yl)benzoate |
Molecular Weight: | 398.46 |
Molecular Formula: | C25 H22 N2 O3 |
Smiles: | Cc1ccc2c3C(C4=C(CCCC4=O)Nc3ccc2n1)c1ccc(cc1)C(=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 5.0424 |
logD: | 5.0309 |
logSw: | -4.9262 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.581 |
InChI Key: | PMOYQRUNVJBSRB-QFIPXVFZSA-N |