(5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 3358-3575 |
| Compound Name: | (5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C18 H15 N3 O5 S2 |
| Smiles: | Cc1cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)c(C)n1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0925 |
| logD: | -1.0265 |
| logSw: | -2.6206 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.144 |
| InChI Key: | SRRVIOUBRAISIL-UHFFFAOYSA-N |