2-methyl-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-methyl-7-[4-(pyrimidin-2-yl)-1,4-diazepane-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
2-methyl-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: | SB25-0089 |
| Compound Name: | 2-methyl-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: | 382.46 |
| Molecular Formula: | C20 H26 N6 O2 |
| Smiles: | CC1NC(C2CCC(CCC=2N=1)C(N1CCCN(CC1)c1ncccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1681 |
| logD: | 1.1661 |
| logSw: | -1.9485 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.738 |
| InChI Key: | MVKZDAASJQDJFK-OAHLLOKOSA-N |