rel-(5R,8S)-10-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0252 |
| Compound Name: | rel-(5R,8S)-10-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 347.41 |
| Molecular Formula: | C17 H18 F N3 O2 S |
| Smiles: | Cc1cc(ccc1F)S(N1[C@H]2CC[C@@H]1c1cnc(C)nc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4343 |
| logD: | 2.4343 |
| logSw: | -2.6457 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.134 |
| InChI Key: | IULRGSORQJKLFG-PXAZEXFGSA-N |