6-(4-bromophenyl)-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(4-bromophenyl)-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(4-bromophenyl)-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018994 |
| Compound Name: | 6-(4-bromophenyl)-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 567.55 |
| Molecular Formula: | C25 H19 Br N4 O S3 |
| Smiles: | C(CN1C2=C(C(N(C(=N2)SCc2ccncc2)c2ccc(cc2)[Br])=O)SC1=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2843 |
| logD: | 5.2772 |
| logSw: | -5.2897 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 36.973 |
| InChI Key: | OEESATCKZCCIGC-UHFFFAOYSA-N |