rel-(5R,8S)-10-(2,5-dimethoxybenzene-1-sulfonyl)-2-phenyl-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-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(2,5-dimethoxybenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0453 |
| Compound Name: | rel-(5R,8S)-10-(2,5-dimethoxybenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | COc1ccc(c(c1)S(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)(=O)=O)OC |
| Stereo: | RELATIVE |
| logP: | 3.6268 |
| logD: | 3.6268 |
| logSw: | -3.8347 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.424 |
| InChI Key: | IGSRBTONTFWQRC-UZLBHIALSA-N |