2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F081-1134 |
| Compound Name: | 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(c(ncn3)SCC(N3CCCC3)=O)sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 3.7094 |
| logD: | 3.7049 |
| logSw: | -3.8595 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.991 |
| InChI Key: | ZSHKEPMAHJIBED-UHFFFAOYSA-N |