2-(benzylamino)-3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(benzylamino)-3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-(benzylamino)-3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0091 |
| Compound Name: | 2-(benzylamino)-3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C22 H20 N4 O2 S2 |
| Smiles: | CCN1C(/C(=C/C2=C(NCc3ccccc3)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9488 |
| logD: | 2.9404 |
| logSw: | -3.2305 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.202 |
| InChI Key: | NFKZJNWNHGCCLA-UHFFFAOYSA-N |