3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1090 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 554.13 |
| Molecular Formula: | C27 H28 Cl N5 O2 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCN(CC2)c2cccc(c2)[Cl])SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0814 |
| logD: | 5.0814 |
| logSw: | -5.2565 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.093 |
| InChI Key: | OMOSOFCTSMIQMX-SFHVURJKSA-N |