3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5999-5874 |
| Compound Name: | 3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C22 H28 N4 O3 S2 |
| Smiles: | [H]N(CCO)C1=C(\C=C2/C(N(CCCCCCC)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5701 |
| logD: | 3.5701 |
| logSw: | -3.5416 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.225 |
| InChI Key: | YNJOATHBFXMTKG-UHFFFAOYSA-N |