methyl 4-({3-[(3-bromoanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({3-[(3-bromoanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate
methyl 4-({3-[(3-bromoanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | 8003-3247 |
| Compound Name: | methyl 4-({3-[(3-bromoanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate |
| Molecular Weight: | 463.37 |
| Molecular Formula: | C19 H15 Br N2 O3 S2 |
| Smiles: | COC(c1ccc(/C=C2/C(N(CNc3cccc(c3)[Br])C(=S)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0401 |
| logD: | 5.0401 |
| logSw: | -4.728 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.776 |
| InChI Key: | RVEAQPFRWNNBHS-UHFFFAOYSA-N |