4-({4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
4-({4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-1039 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 376.5 |
| Molecular Formula: | C24 H28 N2 O2 |
| Smiles: | Cc1ccc(C)c(CN2CCN(CC2)CC2=CC(=O)Oc3cc(C)ccc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3344 |
| logD: | 3.9122 |
| logSw: | -4.2384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.9187 |
| InChI Key: | IRUSVCOFUXJQHS-UHFFFAOYSA-N |