7-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
7-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
7-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4618-0106 |
| Compound Name: | 7-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C22 H20 N4 O2 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(C)C(=S)S3)=O)C(N2C=1)=O)NCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5136 |
| logD: | 2.5135 |
| logSw: | -2.7342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.583 |
| InChI Key: | WYHBWEAFHWAMFD-UHFFFAOYSA-N |