4-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one
4-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0126 |
| Compound Name: | 4-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C23 H22 N2 O6 |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)C(c1ccc3c(c1)OCO3)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 1.9512 |
| logD: | 1.9505 |
| logSw: | -2.9207 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.494 |
| InChI Key: | XFRWHUXADLBMJK-UHFFFAOYSA-N |