6-(5-{[9-methyl-4-oxo-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
Chemical Structure Depiction of
6-(5-{[9-methyl-4-oxo-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
6-(5-{[9-methyl-4-oxo-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
Compound characteristics
| Compound ID: | 4428-0461 |
| Compound Name: | 6-(5-{[9-methyl-4-oxo-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C23 H26 N4 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCCCCC(O)=O)C(=S)S1)=O)C2=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.6156 |
| logD: | -0.2126 |
| logSw: | -2.5953 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.256 |
| InChI Key: | KQLVQBMUTPXRBL-UHFFFAOYSA-N |