5-{[(3-bromophenyl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(3-bromophenyl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3559 |
| Compound Name: | 5-{[(3-bromophenyl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 526.88 |
| Molecular Formula: | C19 H13 Br Cl N3 O2 S3 |
| Smiles: | COc1ccc(cc1N1C2=C(C(NC(=N2)SCc2cccc(c2)[Br])=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0602 |
| logD: | 5.0593 |
| logSw: | -5.1948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.625 |
| InChI Key: | QCBMCHPGUMDFOD-UHFFFAOYSA-N |