(2H-1,3-benzodioxol-5-yl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
(2H-1,3-benzodioxol-5-yl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Compound characteristics
| Compound ID: | S572-0447 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C23 H19 N3 O3 |
| Smiles: | C1C[C@@H]2c3cnc(c4ccccc4)nc3C[C@H]1N2C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4035 |
| logD: | 3.4035 |
| logSw: | -3.5177 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.749 |
| InChI Key: | OWILMNLWDWJMPJ-APWZRJJASA-N |