5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 4058-0345 |
| Compound Name: | 5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C20 H19 N3 O3 S2 |
| Smiles: | Cc1cc(ccc1n1c(C)cc(/C=C2/C(N(CC=C)C(=S)S2)=O)c1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7812 |
| logD: | 4.7812 |
| logSw: | -4.6117 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 52.438 |
| InChI Key: | ZOQRGWJGFHWNAE-UHFFFAOYSA-N |