Chemical Component Summary

NameN-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide
Identifiers~{N}-[3-[(4~{a}~{R},7~{a}~{R})-2-azanyl-4,4~{a},5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7~{a}-yl]-4-fluoranyl-phenyl]-5-bromanyl-pyridine-2-carboxamide
FormulaC18 H16 Br F N4 O2 S
Molecular Weight451.313
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1NC(=O)c2ccc(cn2)Br)[C@@]34[C@@H](CCO3)CSC(=N4)N)F
InChIInChI=1S/C18H16BrFN4O2S/c19-11-1-4-15(22-8-11)16(25)23-12-2-3-14(20)13(7-12)18-10(5-6-26-18)9-27-17(21)24-18/h1-4,7-8,10H,5-6,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1
InChIKeyDACRJCISVSMZQT-XTZNXHDOSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count2
Bond Count46
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL3919597
PubChem 89576898
ChEMBL CHEMBL3919597