الاسم: (S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6,7-dicarboxylic acid 6-tert-butyl ester
SMILES:
CN1C(=O)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2cc3c(cc21)CC(C(=O)O)N(C(=O)OC(C)(C)C)C3Molecular Processing
Molecular formula
C31H30Cl2N2O7
Molecular weight
613.49
Exact mass
612.143
XLogP
6.42
TPSA
105.61
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
157.36
Supplementary Information
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