이름: N-(cyclopropylmethyl)-4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
SMILES:
Cc1ccc(C(=O)NCC2CC2)cc1B1OC(C)(C)C(C)(C)O1Molecular Processing
Molecular formula
C18H26BNO3
Molecular weight
315.22
Exact mass
315.2006
XLogP
2.43
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
91.95
Supplementary Information
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