8,8-dimethyl-3-octyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
8,8-dimethyl-3-octyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
8,8-dimethyl-3-octyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | 5545-0146 |
Compound Name: | 8,8-dimethyl-3-octyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
Molecular Weight: | 399.55 |
Molecular Formula: | C22 H29 N3 O2 S |
Smiles: | CCCCCCCCN1C=Nc2c3cc4COC(C)(C)Cc4nc3sc2C1=O |
Stereo: | ACHIRAL |
logP: | 5.6263 |
logD: | 5.6263 |
logSw: | -5.2329 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 43.176 |
InChI Key: | SZSNFHVNEJKESZ-UHFFFAOYSA-N |