4-(2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-(2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
4-(2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | D222-0082 |
| Compound Name: | 4-(2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C25 H25 N3 O5 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)C(CN3C(COc4ccccc34)=O)=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 1.5638 |
| logD: | 1.5626 |
| logSw: | -2.5294 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.409 |
| InChI Key: | KGPJYOASKHDDKO-UHFFFAOYSA-N |