Name: methyl 4-(1-(5-chloro-2-(3-(3-(piperazin-1-yl)phenoxy)azetidin-1-yl)nicotinamido)cyclopropyl)benzoate
SMILES:
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(N5CCNCC5)c4)C3)CC2)cc1Molecular Processing
Molecular formula
C30H32ClN5O4
Molecular weight
562.07
Exact mass
561.2143
XLogP
3.62
TPSA
96.03
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
153.56
Supplementary Information
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