N,N-dimethyl-2-[4-(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carbonyl)piperazin-1-yl]acetamide
Chemical Structure Depiction of
N,N-dimethyl-2-[4-(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carbonyl)piperazin-1-yl]acetamide
N,N-dimethyl-2-[4-(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carbonyl)piperazin-1-yl]acetamide
Compound characteristics
| Compound ID: | SB25-0395 |
| Compound Name: | N,N-dimethyl-2-[4-(4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carbonyl)piperazin-1-yl]acetamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C24 H31 N5 O3 |
| Smiles: | CN(C)C(CN1CCN(CC1)C(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2559 |
| logD: | -0.1004 |
| logSw: | -2.0935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.126 |
| InChI Key: | WBFHWLWQWQEVGJ-GOSISDBHSA-N |