6-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019014 |
| Compound Name: | 6-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 594.57 |
| Molecular Formula: | C27 H20 Br N3 O2 S3 |
| Smiles: | C(CN1C2=C(C(N(C(=N2)SCC(c2ccccc2)=O)c2ccc(cc2)[Br])=O)SC1=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3384 |
| logD: | 6.3384 |
| logSw: | -5.9301 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.791 |
| InChI Key: | BZKZLSMDWDZHEE-UHFFFAOYSA-N |