SMILES:
COc1ccc2ncc3c(c2n1)CC(CN1CCC(NC(=O)c2ccc4c(c2)NC(=O)CS4)CC1)CO3Molecular Processing
Molecular formula
C27H29N5O4S
Molecular weight
519.63
Exact mass
519.194
XLogP
3.13
TPSA
105.68
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
141.5
Supplementary Information
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