2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4476-4970 |
| Compound Name: | 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C22 H24 N6 O2 S2 |
| Smiles: | CC(C)N1C(/C(=C/C2=C(NCCCn3ccnc3)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8355 |
| logD: | 1.5936 |
| logSw: | -2.1062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.84 |
| InChI Key: | GUWBSWDEVKEOLG-UHFFFAOYSA-N |