5-{[(4-bromophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(4-bromophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(4-bromophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0229 |
| Compound Name: | 5-{[(4-bromophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 476.43 |
| Molecular Formula: | C19 H14 Br N3 O S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(NC(=N2)SCc2ccc(cc2)[Br])=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.8724 |
| logD: | 4.8715 |
| logSw: | -4.5035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.995 |
| InChI Key: | SWQARZLSUJHEKJ-UHFFFAOYSA-N |