N-(4-bromophenyl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
N-(4-bromophenyl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
Compound characteristics
Compound ID: | P580-0539 |
Compound Name: | N-(4-bromophenyl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide |
Molecular Weight: | 432.3 |
Molecular Formula: | C17 H14 Br N5 O2 S |
Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(Nc4ccc(cc4)[Br])=O)c3C2=O)S1 |
Stereo: | ACHIRAL |
logP: | 3.3514 |
logD: | 3.3508 |
logSw: | -3.6499 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.687 |
InChI Key: | WELLWKYSFNVOQJ-UHFFFAOYSA-N |