2-{[(furan-2-yl)methyl]amino}-9-methyl-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-{[(furan-2-yl)methyl]amino}-9-methyl-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-{[(furan-2-yl)methyl]amino}-9-methyl-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: | 4678-0088 |
| Compound Name: | 2-{[(furan-2-yl)methyl]amino}-9-methyl-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: | 482.58 |
| Molecular Formula: | C23 H22 N4 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC3CCCO3)C(=S)S1)=O)C2=O)NCc1ccco1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4442 |
| logD: | 2.4316 |
| logSw: | -2.6176 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.609 |
| InChI Key: | NFOSUFCASINEFJ-MRXNPFEDSA-N |