3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0103 |
| Compound Name: | 3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C24 H24 N4 O5 S2 |
| Smiles: | COc1ccc(CCN2C(/C(=C/C3=C(NCCO)N=C4C=CC=CN4C3=O)SC2=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6151 |
| logD: | 1.6151 |
| logSw: | -2.3628 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.193 |
| InChI Key: | VTDZBVKIRLUGFV-UHFFFAOYSA-N |