Name: (S)-N-((2S,3S)-1-acetyl-5-((1-(2-cyanophenyl)-1H-indazol-3-yl)methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide
SMILES:
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2nn(-c3ccccc3C#N)c3ccccc23)c2ccccc2N(C(C)=O)[C@H]1CMolecular Processing
Molecular formula
C31H31N7O3
Molecular weight
549.64
Exact mass
549.2488
XLogP
3.28
TPSA
123.36
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
156.49
Supplementary Information
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