[5-({2-[4-(4-fluorophenyl)piperazin-1-yl]-7-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-(4-fluorophenyl)piperazin-1-yl]-7-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-(4-fluorophenyl)piperazin-1-yl]-7-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: | 5898-0097 |
| Compound Name: | [5-({2-[4-(4-fluorophenyl)piperazin-1-yl]-7-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: | CC1C=CC2=NC(=C(\C=C3/C(N(CC(O)=O)C(=S)S3)=O)C(N2C=1)=O)N1CCN(CC1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 1.9509 |
| logD: | -1.1681 |
| logSw: | -2.3809 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.671 |
| InChI Key: | BMHQLNYIJSPHTL-UHFFFAOYSA-N |