7-(4-acetyl-1,4-diazepane-1-carbonyl)-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Chemical Structure Depiction of
7-(4-acetyl-1,4-diazepane-1-carbonyl)-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
7-(4-acetyl-1,4-diazepane-1-carbonyl)-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-0998 |
| Compound Name: | 7-(4-acetyl-1,4-diazepane-1-carbonyl)-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | CC(N1CCCN(CC1)C(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4494 |
| logD: | 1.0931 |
| logSw: | -2.074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.368 |
| InChI Key: | MUIDDNXYHKZVNJ-GOSISDBHSA-N |