9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0829 |
| Compound Name: | 9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 467.63 |
| Molecular Formula: | C23 H21 N3 O2 S3 |
| Smiles: | CC(C)CN1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)Sc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0307 |
| logD: | 5.0307 |
| logSw: | -4.5954 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.052 |
| InChI Key: | HSTLBLDAUSOGGM-UHFFFAOYSA-N |