3-(4-methoxyphenyl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
3-(4-methoxyphenyl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Compound characteristics
| Compound ID: | S572-0440 |
| Compound Name: | 3-(4-methoxyphenyl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C25 H25 N3 O2 |
| Smiles: | COc1ccc(CCC(N2[C@H]3CC[C@@H]2c2cnc(c4ccccc4)nc2C3)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 4.1619 |
| logD: | 4.1618 |
| logSw: | -4.2134 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.649 |
| InChI Key: | GMBDPMSRVMVTQU-XXBNENTESA-N |