3-({3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-2208 |
| Compound Name: | 3-({3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 499.05 |
| Molecular Formula: | C24 H23 Cl N4 O2 S2 |
| Smiles: | CC(C)CNC1=C(/C=C2/C(N(Cc3ccccc3[Cl])C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5901 |
| logD: | 4.5901 |
| logSw: | -4.5043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.478 |
| InChI Key: | HKDGUQUAWKTMFM-UHFFFAOYSA-N |