2-phenyl-7-[4-(pyrimidin-2-yl)-1,4-diazepane-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-phenyl-7-[4-(pyrimidin-2-yl)-1,4-diazepane-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
2-phenyl-7-[4-(pyrimidin-2-yl)-1,4-diazepane-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-0423 |
| Compound Name: | 2-phenyl-7-[4-(pyrimidin-2-yl)-1,4-diazepane-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 444.54 |
| Molecular Formula: | C25 H28 N6 O2 |
| Smiles: | C1CN(CCN(C1)c1ncccn1)C(C1CCC2=C(CC1)N=C(c1ccccc1)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6071 |
| logD: | 2.2508 |
| logSw: | -3.0072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.795 |
| InChI Key: | JNULINONIABDCC-LJQANCHMSA-N |