3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0932 |
| Compound Name: | 3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C25 H25 N5 O2 S2 |
| Smiles: | Cc1ccc(CN2C(/C(=C/C3=C(N=C4C=CC=CN4C3=O)N3CCN(C)CC3)SC2=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2653 |
| logD: | 2.9252 |
| logSw: | -3.2026 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.712 |
| InChI Key: | HGKWOBUCQFQAKN-UHFFFAOYSA-N |