6-[5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-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-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
6-[5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Compound characteristics
| Compound ID: | 4578-0164 |
| Compound Name: | 6-[5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C27 H28 N4 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCCCCC(O)=O)C(=S)S1)=O)C2=O)N(C)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5796 |
| logD: | 0.7514 |
| logSw: | -3.6394 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.393 |
| InChI Key: | WXEODRUKHVYGHO-UHFFFAOYSA-N |