6-(2-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(2-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(2-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019174 |
| Compound Name: | 6-(2-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 562.69 |
| Molecular Formula: | C27 H22 N4 O4 S3 |
| Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.806 |
| logD: | 5.806 |
| logSw: | -5.4016 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 68.255 |
| InChI Key: | UWXSRMZNMSBJFS-UHFFFAOYSA-N |