Name: tert-butyl (6-benzyl-1,7-dimethyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyridin-4-yl)(methyl)carbamate
SMILES:
Cc1cc2c(cc(N(C)C(=O)OC(C)(C)C)c3nnc(C)n32)n1Cc1ccccc1Molecular Processing
Molecular formula
C23H27N5O2
Molecular weight
405.5
Exact mass
405.2165
XLogP
4.72
TPSA
64.66
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
118.14
Supplementary Information
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