2-[(2-hydroxyethyl)amino]-3-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-[(2-hydroxyethyl)amino]-3-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(2-hydroxyethyl)amino]-3-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1008 |
| Compound Name: | 2-[(2-hydroxyethyl)amino]-3-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C23 H22 N4 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(Cc3ccc(cc3)OC)C(=S)S1)=O)C2=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 2.2517 |
| logD: | 2.2516 |
| logSw: | -2.6646 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.519 |
| InChI Key: | VHHSEPYMLCWOLH-UHFFFAOYSA-N |