[5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Chemical Structure Depiction of
[5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | 5898-0128 |
| Compound Name: | [5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 539.61 |
| Molecular Formula: | C25 H22 F N5 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C1/C(N(CC(O)=O)C(=S)S1)=O)C2=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 1.945 |
| logD: | -1.174 |
| logSw: | -2.2781 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.871 |
| InChI Key: | UKSOSMMPAVEXCM-UHFFFAOYSA-N |