rel-(5R,8S)-N-(3-ethoxypropyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-(3-ethoxypropyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-(3-ethoxypropyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0532 |
| Compound Name: | rel-(5R,8S)-N-(3-ethoxypropyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | CCOCCCNC(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)=O |
| Stereo: | RELATIVE |
| logP: | 3.0686 |
| logD: | 3.0685 |
| logSw: | -3.0028 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.866 |
| InChI Key: | KIOXDVDZIWLCHI-APWZRJJASA-N |