2-[(2-hydroxy-2-phenylethyl)amino]-3-{[3-(3-methoxypropyl)-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]-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(2-hydroxy-2-phenylethyl)amino]-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-4375 |
| Compound Name: | 2-[(2-hydroxy-2-phenylethyl)amino]-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C24 H24 N4 O4 S2 |
| Smiles: | COCCCN1C(/C(=C/C2=C(NCC(c3ccccc3)O)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0774 |
| logD: | 2.0773 |
| logSw: | -2.562 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.93 |
| InChI Key: | NAKOYDQGKQOCOF-SFHVURJKSA-N |