2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0772 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C25 H24 N4 O4 S2 |
| Smiles: | CC(C)CN1C(/C(=C/C2=C(NCc3ccc4c(c3)OCO4)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8032 |
| logD: | 3.803 |
| logSw: | -4.0748 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.593 |
| InChI Key: | VDIGEUWYHBPUPN-UHFFFAOYSA-N |