3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0199 |
| Compound Name: | 3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 494.64 |
| Molecular Formula: | C24 H26 N6 O2 S2 |
| Smiles: | C1CCC(CC1)N1C(/C(=C/C2=C(NCCCn3ccnc3)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5098 |
| logD: | 2.2679 |
| logSw: | -2.4499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.049 |
| InChI Key: | KFJFVUTZRSXENX-UHFFFAOYSA-N |