5-bromo-N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}furan-2-carboxamide
5-bromo-N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}furan-2-carboxamide
Compound characteristics
Compound ID: | F518-0098 |
Compound Name: | 5-bromo-N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}furan-2-carboxamide |
Molecular Weight: | 444.31 |
Molecular Formula: | C18 H14 Br N5 O2 S |
Smiles: | Cc1c(C)nc2ncnn2c1Sc1ccccc1NC(c1ccc(o1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.8401 |
logD: | 3.84 |
logSw: | -4.0433 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.615 |
InChI Key: | IFFMJQRKCRLQKC-UHFFFAOYSA-N |