7-chloro-2-({[6-(2,6-dimethylphenyl)-7-oxo-3-(2-phenylethyl)-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-({[6-(2,6-dimethylphenyl)-7-oxo-3-(2-phenylethyl)-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-({[6-(2,6-dimethylphenyl)-7-oxo-3-(2-phenylethyl)-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: | K286-0055 |
| Compound Name: | 7-chloro-2-({[6-(2,6-dimethylphenyl)-7-oxo-3-(2-phenylethyl)-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: | 618.2 |
| Molecular Formula: | C30 H24 Cl N5 O2 S3 |
| Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5602 |
| logD: | 5.5602 |
| logSw: | -5.7154 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 53.448 |
| InChI Key: | YQGKBDMGTSCTIX-UHFFFAOYSA-N |