2-(3,5-dimethyl-1,2-oxazol-4-yl)-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-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-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: | S572-0708 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-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: | 392.43 |
| Molecular Formula: | C22 H21 F N4 O2 |
| Smiles: | Cc1c(CC(N2[C@H]3CC[C@@H]2c2cnc(c4ccc(cc4)F)nc2C3)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0033 |
| logD: | 3.0033 |
| logSw: | -2.9308 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.144 |
| InChI Key: | DIOJERRYHQGIOO-JXFKEZNVSA-N |