rel-(5R,8S)-10-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0575 |
| Compound Name: | rel-(5R,8S)-10-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Smiles: | CCn1cc(cn1)S(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.23 |
| logD: | 2.23 |
| logSw: | -2.4589 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.751 |
| InChI Key: | JOUZDTYAGCLANH-BEFAXECRSA-N |