2-(3,4-dimethoxyphenyl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
2-(3,4-dimethoxyphenyl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Compound characteristics
| Compound ID: | S572-0670 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C25 H24 F N3 O3 |
| Smiles: | COc1ccc(CC(N2[C@H]3CC[C@@H]2c2cnc(c4ccc(cc4)F)nc2C3)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5129 |
| logD: | 3.5129 |
| logSw: | -3.5249 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.366 |
| InChI Key: | QRYZRKAACMDVLK-RXVVDRJESA-N |