CC(=O)N1CCN(c2cccnc2Oc2ccc(N(C(=O)OC(C)(C)C)c3nc4ccccc4s3)cc2)CC1
SMILES: CC(=O)N1CCN(c2cccnc2Oc2ccc(N(C(=O)OC(C)(C)C)c3nc4ccccc4s3)cc2)CC1

Molecular Processing

Molecular formula
C29H31N5O4S
Molecular weight
545.67
Exact mass
545.2097
XLogP
6.23
TPSA
88.1
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
153.21

Supplementary Information

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