6-(5-{[7-methyl-2-(4-methylpiperazin-1-yl)-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-{[7-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
6-(5-{[7-methyl-2-(4-methylpiperazin-1-yl)-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: | 4578-0251 |
| Compound Name: | 6-(5-{[7-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C24 H29 N5 O4 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CCCCCC(O)=O)C(=S)S3)=O)C(N2C=1)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.7597 |
| logD: | 1.7597 |
| logSw: | -2.0686 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.865 |
| InChI Key: | ORYQQRIMNOXWQY-UHFFFAOYSA-N |