7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Chemical Structure Depiction of
7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-0072 |
| Compound Name: | 7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C23 H29 Cl N4 O3 |
| Smiles: | CC1NC(C2CCC(CCC=2N=1)C(N1CCN(CC1)CCOc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2916 |
| logD: | 2.2659 |
| logSw: | -3.3019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.721 |
| InChI Key: | FZDWKZIXPXIIEP-KRWDZBQOSA-N |