[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1H-pyrazol-3-yl)methanone
Chemical Structure Depiction of
[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1H-pyrazol-3-yl)methanone
[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | S572-0472 |
| Compound Name: | [rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 331.38 |
| Molecular Formula: | C19 H17 N5 O |
| Smiles: | C1C[C@@H]2c3cnc(c4ccccc4)nc3C[C@H]1N2C(c1cc[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2157 |
| logD: | 2.2157 |
| logSw: | -2.5797 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.235 |
| InChI Key: | NNKFMPWHPPZZOP-DYVFJYSZSA-N |