Name: Ethyl (1-{4-cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazol-2-yl}azetidin-3-yl)acetate
SMILES:
CCOC(=O)CC1CN(c2nc3c(C#N)c(C)c(-c4ccccc4)c(N4CC[C@H](N(C)C)C4)c3o2)C1Molecular Processing
Molecular formula
C28H33N5O3
Molecular weight
487.6
Exact mass
487.2583
XLogP
4.2
TPSA
85.84
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
140.15
Supplementary Information
Details werden geladen…
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