2-{4-[3-({3-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)benzoyl]piperazin-1-yl}benzonitrile
Chemical Structure Depiction of
2-{4-[3-({3-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)benzoyl]piperazin-1-yl}benzonitrile
2-{4-[3-({3-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)benzoyl]piperazin-1-yl}benzonitrile
Compound characteristics
| Compound ID: | V019-3665 |
| Compound Name: | 2-{4-[3-({3-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)benzoyl]piperazin-1-yl}benzonitrile |
| Molecular Weight: | 544.58 |
| Molecular Formula: | C29 H22 F2 N4 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1cccc(/C=C2/C(N(Cc3ccc(cc3F)F)C(=O)S2)=O)c1)=O)c1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.7613 |
| logD: | 4.7613 |
| logSw: | -4.7181 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.259 |
| InChI Key: | OCBMORRYHCEZLH-UHFFFAOYSA-N |