rel-(5R,8S)-10-(2,5-dimethoxybenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(2,5-dimethoxybenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(2,5-dimethoxybenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0254 |
| Compound Name: | rel-(5R,8S)-10-(2,5-dimethoxybenzene-1-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3S(c2cc(ccc2OC)OC)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7915 |
| logD: | 1.7915 |
| logSw: | -2.4646 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.308 |
| InChI Key: | RCWUOXBEQIVCLH-WBMJQRKESA-N |