5-{[(3-bromophenyl)methyl]sulfanyl}-3-(3-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-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(3-bromophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
Compound ID: | F092-0075 |
Compound Name: | 5-{[(3-bromophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
Molecular Weight: | 492.43 |
Molecular Formula: | C19 H14 Br N3 O2 S3 |
Smiles: | COc1cccc(c1)N1C2=C(C(NC(=N2)SCc2cccc(c2)[Br])=O)SC1=S |
Stereo: | ACHIRAL |
logP: | 4.7628 |
logD: | 4.7619 |
logSw: | -4.5837 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.84 |
InChI Key: | QCLYOFAIFCVDDW-UHFFFAOYSA-N |