9-methyl-3-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-3-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-3-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0528 |
| Compound Name: | 9-methyl-3-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 492.66 |
| Molecular Formula: | C26 H28 N4 O2 S2 |
| Smiles: | CCCCCN1C(/C(=C/C2=C(NCCc3ccccc3)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7243 |
| logD: | 4.724 |
| logSw: | -4.388 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.298 |
| InChI Key: | NIAQETMQTDXBOA-UHFFFAOYSA-N |