9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4678-0112 |
| Compound Name: | 9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-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(CC=C)C(=S)S1)=O)C2=O)NCC1CCCO1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9554 |
| logD: | 1.9548 |
| logSw: | -2.2486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.11 |
| InChI Key: | KXRKXTBCIBJDFY-CQSZACIVSA-N |