8,8-dimethyl-3-(4-oxopentyl)-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-(4-oxopentyl)-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-(4-oxopentyl)-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: | F081-1311 |
| Compound Name: | 8,8-dimethyl-3-(4-oxopentyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C19 H21 N3 O3 S |
| Smiles: | CC(CCCN1C=Nc2c3cc4COC(C)(C)Cc4nc3sc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7899 |
| logD: | 1.7899 |
| logSw: | -2.1581 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.511 |
| InChI Key: | JNNACLFAKXCIPS-UHFFFAOYSA-N |