5-{[(3-bromophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(3-bromophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(3-bromophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0154 |
| Compound Name: | 5-{[(3-bromophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 496.85 |
| Molecular Formula: | C18 H11 Br Cl N3 O S3 |
| Smiles: | C(c1cccc(c1)[Br])SC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1937 |
| logD: | 5.1927 |
| logSw: | -5.7861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.296 |
| InChI Key: | WBWMLSXGLJKPLZ-UHFFFAOYSA-N |