7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy}-3,4-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy}-3,4-dimethyl-2H-1-benzopyran-2-one
7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy}-3,4-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | IB09-3276 |
| Compound Name: | 7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy}-3,4-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCC(N1CCN(CC1)c1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.03 |
| logD: | 4.03 |
| logSw: | -4.76 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 88.27 |
| InChI Key: | GCONAGMNKPWIFP-UHFFFAOYSA-N |