3-benzyl-4-methyl-7-(2-oxo-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-4-methyl-7-(2-oxo-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethoxy)-2H-1-benzopyran-2-one
3-benzyl-4-methyl-7-(2-oxo-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | IB07-1181 |
| Compound Name: | 3-benzyl-4-methyl-7-(2-oxo-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C29 H29 N3 O4 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(N1CCN(CC1)Cc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.67 |
| logD: | 2.65 |
| logSw: | -3.51 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 117.96 |
| InChI Key: | GLJVRETXMACISC-UHFFFAOYSA-N |