3-(1H-benzimidazol-2-yl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Chemical Structure Depiction of
3-(1H-benzimidazol-2-yl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
3-(1H-benzimidazol-2-yl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Compound characteristics
| Compound ID: | S572-0582 |
| Compound Name: | 3-(1H-benzimidazol-2-yl)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C25 H23 N5 O |
| Smiles: | C(Cc1nc2ccccc2[nH]1)C(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6943 |
| logD: | 3.6267 |
| logSw: | -4.0201 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.387 |
| InChI Key: | XAKVIFRUJJERER-VGSWGCGISA-N |