N-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: | F081-1022 |
| Compound Name: | N-(3-chlorophenyl)-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: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(C(N(CC(Nc4cccc(c4)[Cl])=O)C=N3)=O)sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 4.1391 |
| logD: | 4.139 |
| logSw: | -4.3852 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.075 |
| InChI Key: | VWQOOUYLEREMQR-UHFFFAOYSA-N |