5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4312 |
| Compound Name: | 5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C27 H22 N4 O3 S3 |
| Smiles: | C1Cc2ccccc2N(C1)C(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2Cc1ccco1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9492 |
| logD: | 4.9492 |
| logSw: | -4.7432 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 50.372 |
| InChI Key: | ZEHDTXJHQJCWJK-UHFFFAOYSA-N |