4-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
4-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0155 |
| Compound Name: | 4-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C23 H22 N2 O5 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)C(c3ccc4c(c3)OCO4)=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4476 |
| logD: | 2.4464 |
| logSw: | -3.069 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.95 |
| InChI Key: | UWMFMJQYJPBHIT-UHFFFAOYSA-N |