6-chloro-7-hydroxy-4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-hydroxy-4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
6-chloro-7-hydroxy-4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-4026 |
| Compound Name: | 6-chloro-7-hydroxy-4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C21 H21 Cl N2 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)CC1=CC(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 3.4928 |
| logD: | 3.1655 |
| logSw: | -3.6451 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.73 |
| InChI Key: | FIBZYEZDWUYPCZ-UHFFFAOYSA-N |