2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-2205 |
| Compound Name: | 2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CC(C)CN1C(/C(=C/C2=C(NCC(c3ccccc3)O)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3949 |
| logD: | 3.3945 |
| logSw: | -3.554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.63 |
| InChI Key: | ULXBGQGVAUPDHV-IBGZPJMESA-N |