Name: 1-(t-butylacetamido)-3-azido-5,7-diphenylhexahydroazepin-2-one
SMILES:
CC(C)(C)CC(=O)NN1C(=O)C(N=[N+]=[N-])CC(c2ccccc2)CC1c1ccccc1Molecular Processing
Molecular formula
C24H29N5O2
Molecular weight
419.53
Exact mass
419.2321
XLogP
5.28
TPSA
98.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
119.59
Supplementary Information
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