8,8-dimethyl-3-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-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: | F081-0767 |
| Compound Name: | 8,8-dimethyl-3-(2-phenylethyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(C(N(CCc4ccccc4)C=N3)=O)sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 4.0913 |
| logD: | 4.0913 |
| logSw: | -4.3723 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.904 |
| InChI Key: | GYXOIHIJZPMWHH-UHFFFAOYSA-N |