2-{[(4-methoxyphenyl)methyl]amino}-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-methoxyphenyl)methyl]amino}-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(4-methoxyphenyl)methyl]amino}-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0715 |
| Compound Name: | 2-{[(4-methoxyphenyl)methyl]amino}-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CC(C)CN1C(/C(=C/C2=C(NCc3ccc(cc3)OC)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8725 |
| logD: | 3.8717 |
| logSw: | -4.1859 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.021 |
| InChI Key: | SHXFNBGYHUUZHH-UHFFFAOYSA-N |