3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0357 |
| Compound Name: | 3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | C(CNC1=C(/C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O)CO |
| Stereo: | ACHIRAL |
| logP: | 1.9833 |
| logD: | 1.9833 |
| logSw: | -2.398 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.954 |
| InChI Key: | UEQWMBKMVHQILD-UHFFFAOYSA-N |