الاسم: (6R)-2-chlorophenyl 6-(5-chloro-2-methoxybenzyl)-3,7-dioxo-4-(2,4,6-trimethoxybenzyl)-1,4-diazepane-1-carboxylate
SMILES:
COc1cc(OC)c(CN2C[C@@H](Cc3cc(Cl)ccc3OC)C(=O)N(C(=O)Oc3ccccc3Cl)CC2=O)c(OC)c1Molecular Processing
Molecular formula
C30H30Cl2N2O8
Molecular weight
617.48
Exact mass
616.1379
XLogP
5.26
TPSA
103.84
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
155.9
Supplementary Information
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