4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C301-3561 |
| Compound Name: | 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C26 H31 N3 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C1=C(CN2CCCC2)C(=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.0051 |
| logD: | 3.2594 |
| logSw: | -4.6381 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.5887 |
| InChI Key: | VSPQWJKGTHZDHZ-UHFFFAOYSA-N |