9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3541-1290 |
| Compound Name: | 9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C21 H22 N4 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC3CCCO3)C(=S)S1)=O)C2=O)NCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7933 |
| logD: | 1.7915 |
| logSw: | -2.2552 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.973 |
| InChI Key: | NFBBLOXAROHAIQ-CQSZACIVSA-N |