rel-(5R,8S)-10-(2-methylbenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(2-methylbenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(2-methylbenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0469 |
| Compound Name: | rel-(5R,8S)-10-(2-methylbenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | Cc1ccccc1S(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9326 |
| logD: | 3.9326 |
| logSw: | -3.8926 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.25 |
| InChI Key: | TZKBVFAXEKYGRD-XLIONFOSSA-N |