이름: N-trityl-1-[4-(benzoxazol-2-yl)benzyloxy]-3-(4-phenylbutoxy)-2-propanamine
SMILES:
c1ccc(CCCCOCC(COCc2ccc(-c3nc4ccccc4o3)cc2)NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C46H44N2O3
Molecular weight
672.87
Exact mass
672.3352
XLogP
10
TPSA
56.52
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
17
Heavy atoms
51
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.196
Molar refractivity
205.43
Supplementary Information
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