3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4476-4960 |
| Compound Name: | 3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C24 H22 N6 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(Cc3ccco3)C(=S)S1)=O)C2=O)NCCCn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9828 |
| logD: | 1.7409 |
| logSw: | -2.3911 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.597 |
| InChI Key: | MTUWHRAEMSXLLB-UHFFFAOYSA-N |