O=S1(=O)CCNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1
SMILES: O=S1(=O)CCNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1

Molecular Processing

Molecular formula
C23H27N5O3S
Molecular weight
453.57
Exact mass
453.1835
XLogP
2.24
TPSA
107.45
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
124.84

Supplementary Information

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