이름: 3-(dimethylamino)propyl 2-(4-((1E,4E)-2-(tert-butoxycarbonylamino)-4-((3-(tert-butyldimethylsilyloxy)propyl)(propyl)carbamoyl)-3H-benzo[b]azepin-8-yl)phenyl)acetate
SMILES:
CCCN(CCCO[Si](C)(C)C(C)(C)C)C(=O)C1=Cc2ccc(-c3ccc(CC(=O)OCCCN(C)C)cc3)cc2N=C(NC(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C41H62N4O6Si
Molecular weight
735.06
Exact mass
734.4439
XLogP
8.38
TPSA
109.77
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
52
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.561
Molar refractivity
213.41
Supplementary Information
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