3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-1997 |
| Compound Name: | 3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C21 H17 N3 O3 S2 |
| Smiles: | CC(C)N1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)Oc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.667 |
| logD: | 3.667 |
| logSw: | -4.0102 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.938 |
| InChI Key: | YZGHNAUULMFSJB-UHFFFAOYSA-N |