이름: 1-[1-(2-Toluoylmethyl)-2-oxo-5-(3,3-dimethylbutanoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-methoxycarbonyl-4-methylphenyl)urea
SMILES:
COC(=O)c1cc(NC(=O)NC2CN(C(=O)CC(C)(C)C)c3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)ccc1CMolecular Processing
Molecular formula
C35H40N4O6
Molecular weight
612.73
Exact mass
612.2948
XLogP
5.59
TPSA
125.12
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
45
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
0.343
Molar refractivity
173.93
Supplementary Information
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