4-bromo-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-bromo-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
Compound ID: | G566-0356 |
Compound Name: | 4-bromo-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
Molecular Weight: | 527.42 |
Molecular Formula: | C22 H15 Br N4 O3 S2 |
Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(c3ccc(cc3)[Br])=O)=CC(N2O1)=O |
Stereo: | ACHIRAL |
logP: | 4.6456 |
logD: | 4.6404 |
logSw: | -4.4536 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.603 |
InChI Key: | AUCZTWRCRQSROD-UHFFFAOYSA-N |