rel-(5R,8S)-2-methyl-10-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-2-methyl-10-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-2-methyl-10-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0353 |
| Compound Name: | rel-(5R,8S)-2-methyl-10-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C17 H19 N3 O2 S |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3S(Cc2ccccc2)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5867 |
| logD: | 1.5867 |
| logSw: | -2.0768 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.028 |
| InChI Key: | BJQIHLKMMBKGLW-PBHICJAKSA-N |