3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1097 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(NCC=C)N=C3C=CC(C)=CN3C2=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9527 |
| logD: | 2.9522 |
| logSw: | -3.151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.394 |
| InChI Key: | OEEGPNSVXGLNLM-ZDUSSCGKSA-N |