8-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2,3-dihydro-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
8-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2,3-dihydro-4H-1-benzothiopyran-4-one
8-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2,3-dihydro-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | E213-1445 |
| Compound Name: | 8-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2,3-dihydro-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C22 H24 N2 O2 S |
| Smiles: | Cc1ccc(c(C)c1)N1CCN(CC1)C(c1cccc2C(CCSc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2263 |
| logD: | 4.2263 |
| logSw: | -4.3263 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.015 |
| InChI Key: | VPDZVWKXGCWNOL-UHFFFAOYSA-N |