4-(5-{[2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Chemical Structure Depiction of
4-(5-{[2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
4-(5-{[2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Compound characteristics
| Compound ID: | 4428-0425 |
| Compound Name: | 4-(5-{[2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C18 H18 N4 O4 S2 |
| Smiles: | CCNC1=C(/C=C2/C(N(CCCC(O)=O)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5401 |
| logD: | -2.2735 |
| logSw: | -1.621 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.716 |
| InChI Key: | MYLVZXVFMMXDLN-UHFFFAOYSA-N |