2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0198 |
| Compound Name: | 2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C23 H24 N6 O3 S2 |
| Smiles: | C(CNC1=C(/C=C2/C(N(CC3CCCO3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O)Cn1ccnc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9018 |
| logD: | 0.6599 |
| logSw: | -1.6576 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.482 |
| InChI Key: | RDDHHPZFKLZSHJ-MRXNPFEDSA-N |