3-(4-methoxyphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
3-(4-methoxyphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Compound characteristics
| Compound ID: | S572-0241 |
| Compound Name: | 3-(4-methoxyphenyl)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C20 H23 N3 O2 |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(CCc2ccc(cc2)OC)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3266 |
| logD: | 2.3265 |
| logSw: | -2.5494 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.534 |
| InChI Key: | GJMGMECGFHKOQQ-BEFAXECRSA-N |