7-chloro-2-({[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
7-chloro-2-({[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
7-chloro-2-({[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K286-3980 |
| Compound Name: | 7-chloro-2-({[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 620.17 |
| Molecular Formula: | C29 H22 Cl N5 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)c2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.9915 |
| logD: | 4.9915 |
| logSw: | -4.8938 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 60.584 |
| InChI Key: | AWLNBGNIOVKOHY-UHFFFAOYSA-N |