(2,4-dimethoxyphenyl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Chemical Structure Depiction of
(2,4-dimethoxyphenyl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
(2,4-dimethoxyphenyl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Compound characteristics
| Compound ID: | S572-0436 |
| Compound Name: | (2,4-dimethoxyphenyl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C24 H23 N3 O3 |
| Smiles: | COc1ccc(C(N2[C@H]3CC[C@@H]2c2cnc(c4ccccc4)nc2C3)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6275 |
| logD: | 3.6275 |
| logSw: | -3.8838 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.807 |
| InChI Key: | AYFGLRWEEINWPD-IERDGZPVSA-N |