3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Compound characteristics
| Compound ID: | S572-0691 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C23 H24 F N5 O |
| Smiles: | Cc1cc(C)n(CCC(N2[C@H]3CC[C@@H]2c2cnc(c4ccc(cc4)F)nc2C3)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3208 |
| logD: | 2.3206 |
| logSw: | -2.7197 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.091 |
| InChI Key: | JSVXSMDLBSEYGE-RXVVDRJESA-N |