N-(2,4-dichlorophenyl)-2-(8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-(2,4-dichlorophenyl)-2-(8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)acetamide
N-(2,4-dichlorophenyl)-2-(8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | F081-1112 |
| Compound Name: | N-(2,4-dichlorophenyl)-2-(8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 489.38 |
| Molecular Formula: | C22 H18 Cl2 N4 O3 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(C(N(CC(Nc4ccc(cc4[Cl])[Cl])=O)C=N3)=O)sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 4.3273 |
| logD: | 4.3209 |
| logSw: | -4.3679 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.377 |
| InChI Key: | WKRGNVFPDVOKRA-UHFFFAOYSA-N |