4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-1-benzopyran-2-one
4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | Y041-4001 |
Compound Name: | 4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-1-benzopyran-2-one |
Molecular Weight: | 382.89 |
Molecular Formula: | C22 H23 Cl N2 O2 |
Smiles: | Cc1cc(C)c2C(CN3CCN(CC3)c3cccc(c3)[Cl])=CC(=O)Oc2c1 |
Stereo: | ACHIRAL |
logP: | 4.5091 |
logD: | 4.4905 |
logSw: | -4.7797 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 27.6386 |
InChI Key: | MTYGTNZZWJBQFQ-UHFFFAOYSA-N |