2-{4-[4-({3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)benzoyl]piperazin-1-yl}benzonitrile
Chemical Structure Depiction of
2-{4-[4-({3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)benzoyl]piperazin-1-yl}benzonitrile
2-{4-[4-({3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)benzoyl]piperazin-1-yl}benzonitrile
Compound characteristics
| Compound ID: | V027-2148 |
| Compound Name: | 2-{4-[4-({3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)benzoyl]piperazin-1-yl}benzonitrile |
| Molecular Weight: | 543.04 |
| Molecular Formula: | C29 H23 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccc(/C=C2/C(N(Cc3cccc(c3)[Cl])C(=O)S2)=O)cc1)=O)c1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.2271 |
| logD: | 5.2271 |
| logSw: | -5.618 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.259 |
| InChI Key: | OYAGOMBUTZPWPA-UHFFFAOYSA-N |