2-[4-(4-methoxyphenyl)piperazin-1-yl]-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-[4-(4-methoxyphenyl)piperazin-1-yl]-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-[4-(4-methoxyphenyl)piperazin-1-yl]-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: | 4578-0570 |
| Compound Name: | 2-[4-(4-methoxyphenyl)piperazin-1-yl]-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: | 563.7 |
| Molecular Formula: | C28 H29 N5 O4 S2 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C1=C(/C=C2/C(N(CC3CCCO3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2058 |
| logD: | 3.2057 |
| logSw: | -3.3294 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.694 |
| InChI Key: | DMQSWWRMOXRNEN-OAQYLSRUSA-N |