1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-4-phenylbutan-1-one
1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S572-0243 |
| Compound Name: | 1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 321.42 |
| Molecular Formula: | C20 H23 N3 O |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(CCCc2ccccc2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9252 |
| logD: | 2.9251 |
| logSw: | -3.042 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.99 |
| InChI Key: | CTERVKVZKUUXTL-APWZRJJASA-N |