2-{[(furan-2-yl)methyl]amino}-7-methyl-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
2-{[(furan-2-yl)methyl]amino}-7-methyl-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
2-{[(furan-2-yl)methyl]amino}-7-methyl-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: | 4578-0223 |
| Compound Name: | 2-{[(furan-2-yl)methyl]amino}-7-methyl-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: | 438.53 |
| Molecular Formula: | C21 H18 N4 O3 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CC=C)C(=S)S3)=O)C(N2C=1)=O)NCc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 2.9192 |
| logD: | 2.9155 |
| logSw: | -3.2129 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.703 |
| InChI Key: | WILJQVMHIMLHOE-UHFFFAOYSA-N |