3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0202 |
| Compound Name: | 3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C25 H24 N4 O4 S2 |
| Smiles: | COc1ccc(CCN2C(/C(=C/C3=C(NCC=C)N=C4C=CC=CN4C3=O)SC2=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6963 |
| logD: | 2.6958 |
| logSw: | -3.0954 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.538 |
| InChI Key: | BHWSOPPBNAJZFB-UHFFFAOYSA-N |