Bms-754807

C₂₃H₂₄FN₉OCAS 1001350-96-4461.51 g/mol

Open in Covalent MOL file

Amide Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₂₃H₂₄FN₉O
Molar mass: 461.51 g/mol
Exact mass: 461.2088 Da
logP: 3.61Crippen estimate
Polar surface area: 116.1 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1001350-96-4

SMILES

C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F

InChIKey

LQVXSNNAFNGRAH-QHCPKHFHSA-N

InChI

InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1

Weigh it out

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Work with Bms-754807

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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