2-(diethylamino)ethyl 4-[4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamido]benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-[4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamido]benzoate
2-(diethylamino)ethyl 4-[4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | 2110-0064 |
| Compound Name: | 2-(diethylamino)ethyl 4-[4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamido]benzoate |
| Molecular Weight: | 525.69 |
| Molecular Formula: | C27 H31 N3 O4 S2 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(CCCN1C(/C(=C/c2ccccc2)SC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5227 |
| logD: | 3.5543 |
| logSw: | -4.0913 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.029 |
| InChI Key: | VLYYZHUVJGVZBG-UHFFFAOYSA-N |