methyl 4-(2,5-dimethyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2,5-dimethyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
methyl 4-(2,5-dimethyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3958-2734 |
| Compound Name: | methyl 4-(2,5-dimethyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C21 H20 N2 O3 S2 |
| Smiles: | Cc1cc(/C=C2/C(N(CC=C)C(=S)S2)=O)c(C)n1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3045 |
| logD: | 4.3045 |
| logSw: | -4.3612 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 40.531 |
| InChI Key: | DHTWJJZXHWOKAR-UHFFFAOYSA-N |