Name: (Z)-benzyl 7,9-dimethyl-5-(2-methyl-2H-tetrazol-5-ylimino)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
SMILES:
Cc1cc(C)c2c(c1)/C(=N\c1nnn(C)n1)CCCN2C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C22H24N6O2
Molecular weight
404.47
Exact mass
404.1961
XLogP
3.88
TPSA
85.5
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
114.12
Supplementary Information
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