7-chloro-2-({[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-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-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-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-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-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: | K286-0309 |
| Compound Name: | 7-chloro-2-({[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-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: | 622.14 |
| Molecular Formula: | C28 H20 Cl N5 O4 S3 |
| Smiles: | COc1ccc(cc1OC)N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7352 |
| logD: | 3.7352 |
| logSw: | -4.3264 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 68.721 |
| InChI Key: | JCPGUXLGSLBTNV-UHFFFAOYSA-N |