2-(4-fluorophenyl)-7-(3-oxopiperazine-1-carbonyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-7-(3-oxopiperazine-1-carbonyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
2-(4-fluorophenyl)-7-(3-oxopiperazine-1-carbonyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-0919 |
| Compound Name: | 2-(4-fluorophenyl)-7-(3-oxopiperazine-1-carbonyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C20 H21 F N4 O3 |
| Smiles: | C1CC2=C(CCC1C(N1CCNC(C1)=O)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5154 |
| logD: | -0.566 |
| logSw: | -2.0902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.798 |
| InChI Key: | KSQCXMCCOPJWHE-CYBMUJFWSA-N |