Name: (3R,7S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-6-((S)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carboxylic acid
SMILES:
CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)O)N(C)C(=O)[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3Molecular Processing
Molecular formula
C35H32Cl2N2O5
Molecular weight
631.56
Exact mass
630.1688
XLogP
7.63
TPSA
79.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
44
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.257
Molar refractivity
170.6
Supplementary Information
Details werden geladen…
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