3-(5-{[9-methyl-4-oxo-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[9-methyl-4-oxo-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[9-methyl-4-oxo-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | Y070-2061 |
| Compound Name: | 3-(5-{[9-methyl-4-oxo-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C22 H26 N4 O5 S2 |
| Smiles: | CC(C)OCCCNC1=C(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8987 |
| logD: | -1.6338 |
| logSw: | -1.6042 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.154 |
| InChI Key: | UKDODLWALGHCCV-UHFFFAOYSA-N |