Epacadostat
Properties
- Molecular formula
- C11H13BrFN7O4S
- Molar mass
- 438.23 g/mol
- Exact mass
- 436.9917 Da
- logP
- 0.23Crippen estimate
- Polar surface area
- 167.8 Ų
- H-bond donors / acceptors
- 5 / 8
- Rotatable bonds
- 7
Identifiers
CAS number
1204669-58-8SMILES
NS(=O)(=O)NCCNc1nonc1C(=Nc1ccc(F)c(Br)c1)NOInChIKey
FBKMWOJEPMPVTQ-UHFFFAOYSA-NInChI
InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1,2,5-Oxadiazole-3-carboximidamide, 4-[[2-[(aminosulfonyl)amino]ethyl]amino]-N-(3-bromo-4-fluorophenyl)-N′-hydroxy-, [C(Z)]-
- [C(Z)]-4-[[2-[(Aminosulfonyl)amino]ethyl]amino]-N-(3-bromo-4-fluorophenyl)-N′-hydroxy-1,2,5-oxadiazole-3-carboximidamide
- INCB 024360
- ICBN 24360