3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G786-1942 |
| Compound Name: | 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C22 H23 Cl N2 O3 |
| Smiles: | CC1=C(C(=O)Oc2c1ccc(c2CN1CCN(C)CC1)O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7499 |
| logD: | 2.951 |
| logSw: | -4.1653 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.33 |
| InChI Key: | NSOCEIMJVDDWHZ-UHFFFAOYSA-N |