5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 4490-1974 |
| Compound Name: | 5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C21 H17 N3 O S2 |
| Smiles: | Cc1cc(\C=C2/C(N(C(=S)S2)c2ccccc2)=O)c(C)n1c1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6418 |
| logD: | 3.641 |
| logSw: | -3.77 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 28.0135 |
| InChI Key: | KLRZCVRTXXKDAY-UHFFFAOYSA-N |