Name: 6-benzyl-4-oxo-4,4a,5,6,7,7a,8,9-octahydro-1H-1,6-diaza-cyclopenta[f]azulene-3-carboxylic acid pyridin-2-ylamide
SMILES:
O=C(Nc1ccccn1)c1c[nH]c2c1C(=O)C1CN(Cc3ccccc3)CC1CC2Molecular Processing
Molecular formula
C24H24N4O2
Molecular weight
400.48
Exact mass
400.1899
XLogP
3.54
TPSA
78.09
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
114.33
Supplementary Information
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Involved in 2 reactions→