2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{[4-oxo-3-(2-phenylethyl)-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}-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0192 |
| Compound Name: | 2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C26 H24 N6 O2 S2 |
| Smiles: | C(CNC1=C(/C=C2/C(N(CCc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O)Cn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5581 |
| logD: | 2.3162 |
| logSw: | -2.7092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.806 |
| InChI Key: | PBXBAMFHKARIIT-UHFFFAOYSA-N |