SMILES:
CC(C)(C)OC(=O)n1c(-c2cc(OCC(O)CN3CCCCC3)c(Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21Molecular Processing
Molecular formula
C35H45ClN4O5
Molecular weight
637.22
Exact mass
636.3078
XLogP
6.2
TPSA
96.27
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
45
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.543
Molar refractivity
176.11
Supplementary Information
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