1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-3-phenylpropan-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]-3-phenylpropan-1-one
1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S572-0301 |
| Compound Name: | 1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C19 H21 N3 O |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(CCc2ccccc2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3442 |
| logD: | 2.3441 |
| logSw: | -2.4828 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.99 |
| InChI Key: | SKMJTUDIJCLYQH-QAPCUYQASA-N |