2-(3-chlorophenyl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
2-(3-chlorophenyl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Compound characteristics
| Compound ID: | S572-0459 |
| Compound Name: | 2-(3-chlorophenyl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one |
| Molecular Weight: | 389.88 |
| Molecular Formula: | C23 H20 Cl N3 O |
| Smiles: | C(C(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)=O)c1cccc(c1)[Cl] |
| Stereo: | RELATIVE |
| logP: | 4.4612 |
| logD: | 4.4612 |
| logSw: | -4.5643 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.106 |
| InChI Key: | RTAZWNKGBNDPQS-NQIIRXRSSA-N |