(5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 4489-3270 |
| Compound Name: | (5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 451.36 |
| Molecular Formula: | C18 H15 Br N2 O3 S2 |
| Smiles: | Cc1cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)c(C)n1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0008 |
| logD: | -0.1182 |
| logSw: | -3.0445 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.763 |
| InChI Key: | DUXWOUSSUPYMHS-UHFFFAOYSA-N |