2-(4-fluorophenyl)-7-[4-(methanesulfonyl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-7-[4-(methanesulfonyl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
2-(4-fluorophenyl)-7-[4-(methanesulfonyl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-0889 |
| Compound Name: | 2-(4-fluorophenyl)-7-[4-(methanesulfonyl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C21 H25 F N4 O4 S |
| Smiles: | CS(N1CCN(CC1)C(C1CCC2=C(CC1)N=C(c1ccc(cc1)F)NC2=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0509 |
| logD: | -0.0305 |
| logSw: | -2.3181 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.124 |
| InChI Key: | NJASTLIVGXIAKV-HNNXBMFYSA-N |