rel-(5R,8S)-10-(4-fluorobenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(4-fluorobenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(4-fluorobenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0213 |
| Compound Name: | rel-(5R,8S)-10-(4-fluorobenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 333.38 |
| Molecular Formula: | C16 H16 F N3 O2 S |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3S(c2ccc(cc2)F)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.968 |
| logD: | 1.968 |
| logSw: | -2.5622 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.134 |
| InChI Key: | GKVDOGIRXOIYJR-WBMJQRKESA-N |