5-(5-bromothiophen-2-yl)-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-(5-bromothiophen-2-yl)-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-(5-bromothiophen-2-yl)-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
Compound ID: | 8015-3098 |
Compound Name: | 5-(5-bromothiophen-2-yl)-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
Molecular Weight: | 422.34 |
Molecular Formula: | C15 H8 Br N3 O S3 |
Smiles: | c1ccc(cc1)N1C2=C(C(NC(c3ccc(s3)[Br])=N2)=O)SC1=S |
Stereo: | ACHIRAL |
logP: | 3.9369 |
logD: | 3.9099 |
logSw: | -4.2183 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 37.704 |
InChI Key: | GJRZJWVHWMGMPF-UHFFFAOYSA-N |