rel-(5R,8S)-2-methyl-10-(2-methylbenzene-1-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-2-methyl-10-(2-methylbenzene-1-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-2-methyl-10-(2-methylbenzene-1-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0270 |
| Compound Name: | rel-(5R,8S)-2-methyl-10-(2-methylbenzene-1-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C17 H19 N3 O2 S |
| Smiles: | Cc1ccccc1S(N1[C@H]2CC[C@@H]1c1cnc(C)nc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0973 |
| logD: | 2.0973 |
| logSw: | -2.3515 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.134 |
| InChI Key: | TUNSQYAUDKUNDW-CJNGLKHVSA-N |