2-(4-ethylpiperazin-1-yl)-7-methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-ethylpiperazin-1-yl)-7-methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-ethylpiperazin-1-yl)-7-methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0977 |
| Compound Name: | 2-(4-ethylpiperazin-1-yl)-7-methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 519.69 |
| Molecular Formula: | C27 H29 N5 O2 S2 |
| Smiles: | CCN1CCN(CC1)C1=C(/C=C2/C(N(Cc3ccc(C)cc3)C(=S)S2)=O)C(N2C=C(C)C=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9142 |
| logD: | 3.4839 |
| logSw: | -3.8646 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.292 |
| InChI Key: | ABUOKFAWPCTNEH-UHFFFAOYSA-N |