rel-(5R,8S)-2-(4-fluorophenyl)-N-(propan-2-yl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-2-(4-fluorophenyl)-N-(propan-2-yl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-2-(4-fluorophenyl)-N-(propan-2-yl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0667 |
| Compound Name: | rel-(5R,8S)-2-(4-fluorophenyl)-N-(propan-2-yl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C19 H21 F N4 O |
| Smiles: | CC(C)NC(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RELATIVE |
| logP: | 3.2141 |
| logD: | 3.2141 |
| logSw: | -3.3212 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.022 |
| InChI Key: | ZIIHVDBJBPCSOO-YOEHRIQHSA-N |