methyl 2-(2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamido)benzoate
methyl 2-(2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | J079-1018 |
| Compound Name: | methyl 2-(2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamido)benzoate |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)CC(Nc3ccccc3C(=O)OC)=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9207 |
| logD: | 2.8857 |
| logSw: | -3.3739 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.544 |
| InChI Key: | GHMGQBUSHXXGHP-UHFFFAOYSA-N |