3-(1,3-benzothiazol-2-yl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
3-(1,3-benzothiazol-2-yl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Compound characteristics
| Compound ID: | S572-0696 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C25 H21 F N4 O S |
| Smiles: | C(Cc1nc2ccccc2s1)C(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.62 |
| logD: | 4.62 |
| logSw: | -4.6302 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.321 |
| InChI Key: | MVDKKIQLMFIQOW-UTKZUKDTSA-N |