名称: carbonic acid (S)-1-[(S)-5-(2-methoxy-ethyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-ylcarbamoyl]-ethyl ester 4-nitro-phenyl ester
SMILES:
COCCN1C(=O)[C@@H](NC(=O)[C@H](C)OC(=O)Oc2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21Molecular Processing
Molecular formula
C27H25N3O8
Molecular weight
519.51
Exact mass
519.1642
XLogP
4.02
TPSA
137.31
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
136.66
Supplementary Information
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