2-({[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-({[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one
2-({[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K286-0036 |
| Compound Name: | 2-({[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-7-chloro-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(N2c1c(C)cccc1C)=S)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7718 |
| logD: | 5.7718 |
| logSw: | -5.9161 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 52.256 |
| InChI Key: | DEBDNTGDZGESAJ-UHFFFAOYSA-N |