Name: 1-(1-tert-Butylcarbonylmethyl-2-oxo-5-phenyl-8-methoxy-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)-3-(3-ethoxycarbonylphenyl)urea
SMILES:
CCOC(=O)c1cccc(NC(=O)NC2CN(c3ccccc3)c3ccc(OC)cc3N(CC(=O)C(C)(C)C)C2=O)c1Molecular Processing
Molecular formula
C32H36N4O6
Molecular weight
572.66
Exact mass
572.2635
XLogP
5.16
TPSA
117.28
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
161.6
Supplementary Information
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