[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | S572-0707 |
| Compound Name: | [rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C25 H27 F N4 O2 |
| Smiles: | Cc1cc(C(N2[C@H]3CC[C@@H]2c2cnc(c4ccc(cc4)F)nc2C3)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3115 |
| logD: | 3.3115 |
| logSw: | -3.2931 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.147 |
| InChI Key: | DBKZGCCNSMLKIN-CVDCTZTESA-N |