2-{[(furan-2-yl)methyl]amino}-3-[(3-heptyl-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-{[(furan-2-yl)methyl]amino}-3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(furan-2-yl)methyl]amino}-3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5999-5871 |
| Compound Name: | 2-{[(furan-2-yl)methyl]amino}-3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 496.65 |
| Molecular Formula: | C25 H28 N4 O3 S2 |
| Smiles: | [H]N(Cc1ccco1)C1=C(\C=C2/C(N(CCCCCCC)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3023 |
| logD: | 5.2897 |
| logSw: | -5.0104 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.205 |
| InChI Key: | XGQWBIZUEUGWQR-UHFFFAOYSA-N |