2-(3-methylphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
2-(3-methylphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Compound characteristics
| Compound ID: | S572-0382 |
| Compound Name: | 2-(3-methylphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C19 H21 N3 O |
| Smiles: | Cc1cccc(CC(N2[C@H]3CC[C@@H]2c2cnc(C)nc2C3)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6171 |
| logD: | 2.617 |
| logSw: | -2.5852 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.99 |
| InChI Key: | REEYNAKNNCDTTG-QAPCUYQASA-N |