3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)amino]-9-methyl-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}-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1074 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C19 H22 N4 O3 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(NCCO)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8377 |
| logD: | 1.8376 |
| logSw: | -2.062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.551 |
| InChI Key: | UHPUYVFNDQARHV-LBPRGKRZSA-N |