Name: 1-(tert-butylcarbonylmethyl-2-oxo-5-pivaloyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)-3-(3-ethoxycarbonylphenyl)urea
SMILES:
CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)C(C)(C)C)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1Molecular Processing
Molecular formula
C30H38N4O6
Molecular weight
550.66
Exact mass
550.2791
XLogP
4.39
TPSA
125.12
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
40
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
153.41
Supplementary Information
Details werden geladen…
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