4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-methyl-2H-1-benzopyran-2-one
4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3995 |
| Compound Name: | 4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 368.86 |
| Molecular Formula: | C21 H21 Cl N2 O2 |
| Smiles: | Cc1ccc2c(c1)C(CN1CCN(CC1)c1cccc(c1)[Cl])=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.8316 |
| logD: | 3.7856 |
| logSw: | -4.2517 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.6386 |
| InChI Key: | VTJGWCODEMIOGE-UHFFFAOYSA-N |