Name: tert-butyl (1E,4E)-8-(4-((R)-3-(tert-butyldimethylsilyloxy)pyrrolidine-1-carbonyl)phenyl)-4-(dipropylcarbamoyl)-3H-benzo[b]azepin-2-ylcarbamate
SMILES:
CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CC[C@@H](O[Si](C)(C)C(C)(C)C)C4)cc3)cc2N=C(NC(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C39H56N4O5Si
Molecular weight
688.99
Exact mass
688.402
XLogP
8.58
TPSA
100.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
49
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
200.69
Supplementary Information
Details werden geladen…
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