3-(3,4-dimethoxyphenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G786-1954 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C25 H30 N2 O6 |
| Smiles: | CC1=C(C(=O)Oc2c1ccc(c2CN1CCN(CC1)CCO)O)c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3005 |
| logD: | 2.0218 |
| logSw: | -2.9409 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.56 |
| InChI Key: | TXQIVEFDAQGUCB-UHFFFAOYSA-N |