(5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | C370-5626 |
| Compound Name: | (5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C16 H11 N3 O5 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C/c2cccn2c2cccc(c2)[N+]([O-])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0353 |
| logD: | -1.0837 |
| logSw: | -2.4291 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.009 |
| InChI Key: | BDYOIRNCIOZFRL-UHFFFAOYSA-N |