3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4678-0076 |
| Compound Name: | 3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CC(c1ccccc1)NC1=C(/C=C2/C(N(CCCOC)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3383 |
| logD: | 3.3294 |
| logSw: | -3.5982 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.962 |
| InChI Key: | PHSRTIKWDYPMME-KRWDZBQOSA-N |