rel-(5R,8S)-N-(3-fluoro-4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-(3-fluoro-4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-(3-fluoro-4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0178 |
| Compound Name: | rel-(5R,8S)-N-(3-fluoro-4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 328.34 |
| Molecular Formula: | C17 H17 F N4 O2 |
| Smiles: | COc1ccc(cc1F)NC(N1[C@H]2CC[C@@H]1c1cncnc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7024 |
| logD: | 1.7024 |
| logSw: | -1.9919 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.543 |
| InChI Key: | JFAOYRQFYAVVFX-ABAIWWIYSA-N |