7-methyl-4-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-methyl-4-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
7-methyl-4-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0156 |
| Compound Name: | 7-methyl-4-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C25 H28 N2 O3 |
| Smiles: | CCC(C(N1CCN(CC1)CC1=CC(=O)Oc2cc(C)ccc12)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7871 |
| logD: | 3.7834 |
| logSw: | -3.8819 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.834 |
| InChI Key: | OXYNFNFFUIREPM-OAQYLSRUSA-N |