methyl 4-{[3-(4-bromobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(4-bromobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
methyl 4-{[3-(4-bromobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 3232-0143 |
| Compound Name: | methyl 4-{[3-(4-bromobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate |
| Molecular Weight: | 477.35 |
| Molecular Formula: | C19 H13 Br N2 O4 S2 |
| Smiles: | COC(c1ccc(/C=C2/C(N(C(=S)S2)NC(c2ccc(cc2)[Br])=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1012 |
| logD: | 3.9197 |
| logSw: | -4.3569 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.017 |
| InChI Key: | JJQKHFCFRNSIOK-UHFFFAOYSA-N |