rel-(5R,8S)-10-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0362 |
| Compound Name: | rel-(5R,8S)-10-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C15 H18 N4 O3 S |
| Smiles: | Cc1c(c(C)on1)S(N1[C@H]2CC[C@@H]1c1cnc(C)nc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6785 |
| logD: | 0.6785 |
| logSw: | -1.6109 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.172 |
| InChI Key: | ZCCNQXRPJLGIJX-RISCZKNCSA-N |