2-(benzylamino)-9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(benzylamino)-9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(benzylamino)-9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0224 |
| Compound Name: | 2-(benzylamino)-9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 512.65 |
| Molecular Formula: | C28 H24 N4 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCc3ccccc3)C(=S)S1)=O)C2=O)NCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3499 |
| logD: | 4.3416 |
| logSw: | -4.3081 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.184 |
| InChI Key: | BWMFZDKIUKOXBJ-UHFFFAOYSA-N |