이름: N-[2-(N-{4-[(methoxymethyl)-cyclopropyl]phenyl}carbamoyl)-phenyl]-N-(4-pyridylmethyl)acetamide
SMILES:
COCC1(c2ccc(NC(=O)c3ccccc3N(Cc3ccncc3)C(C)=O)cc2)CC1Molecular Processing
Molecular formula
C26H27N3O3
Molecular weight
429.52
Exact mass
429.2052
XLogP
4.57
TPSA
71.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
124.73
Supplementary Information
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