3-[(3-benzyl-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-benzyl-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-benzyl-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: | 4618-0549 |
| Compound Name: | 3-[(3-benzyl-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: | 502.62 |
| Molecular Formula: | C25 H22 N6 O2 S2 |
| Smiles: | C(CNC1=C(/C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O)Cn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 2.459 |
| logD: | 2.2171 |
| logSw: | -2.6155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.827 |
| InChI Key: | VDLXBZBOYUJWDC-UHFFFAOYSA-N |