(5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | C370-5608 |
| Compound Name: | (5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 423.3 |
| Molecular Formula: | C16 H11 Br N2 O3 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C/c2cccn2c2ccc(cc2)[Br])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0247 |
| logD: | -0.0943 |
| logSw: | -3.1649 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.627 |
| InChI Key: | JZKDWZXUMZSSBS-UHFFFAOYSA-N |