6-(4-bromophenyl)-5-{[(4-chlorophenyl)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-(4-bromophenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(4-bromophenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019004 |
| Compound Name: | 6-(4-bromophenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 601 |
| Molecular Formula: | C26 H19 Br Cl N3 O S3 |
| Smiles: | C(CN1C2=C(C(N(C(=N2)SCc2ccc(cc2)[Cl])c2ccc(cc2)[Br])=O)SC1=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.2355 |
| logD: | 7.2355 |
| logSw: | -6.4389 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 27.5444 |
| InChI Key: | WITJAIZDMPPBSJ-UHFFFAOYSA-N |