2,2'-[(6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4-diyl)bis(sulfanediyl)]bis[1-(4-chlorophenyl)ethan-1-one]
Chemical Structure Depiction of
2,2'-[(6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4-diyl)bis(sulfanediyl)]bis[1-(4-chlorophenyl)ethan-1-one]
2,2'-[(6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4-diyl)bis(sulfanediyl)]bis[1-(4-chlorophenyl)ethan-1-one]
Compound characteristics
| Compound ID: | 3807-1159 |
| Compound Name: | 2,2'-[(6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4-diyl)bis(sulfanediyl)]bis[1-(4-chlorophenyl)ethan-1-one] |
| Molecular Weight: | 589.58 |
| Molecular Formula: | C27 H22 Cl2 N2 O3 S3 |
| Smiles: | CC1(C)Cc2c3c(nc(nc3sc2CO1)SCC(c1ccc(cc1)[Cl])=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.7696 |
| logD: | 7.7696 |
| logSw: | -6.6143 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 52.336 |
| InChI Key: | KHQLSQRGDMKSHP-UHFFFAOYSA-N |