Name: (±)-3-[3-(1-tert-butylcarbonylmethyl-2-oxo-5-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)ureido]benzoic acid
SMILES:
CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)CN(c2ccccc2)c2ccccc21Molecular Processing
Molecular formula
C29H30N4O5
Molecular weight
514.58
Exact mass
514.2216
XLogP
4.68
TPSA
119.05
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
146.05
Supplementary Information
Details werden geladen…
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