3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4476-4864 |
| Compound Name: | 3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 482.63 |
| Molecular Formula: | C23 H26 N6 O2 S2 |
| Smiles: | CCCCN1C(/C(=C/C2=C(NCCCn3ccnc3)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3909 |
| logD: | 2.149 |
| logSw: | -2.3728 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.098 |
| InChI Key: | IWYDYUGIPOKUHF-UHFFFAOYSA-N |