COC(=O)C1(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CCN(C(=O)OC(C)(C)C)CC1
SMILES: COC(=O)C1(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CCN(C(=O)OC(C)(C)C)CC1

Molecular Processing

Molecular formula
C29H31N5O5S
Molecular weight
561.66
Exact mass
561.2046
XLogP
6.06
TPSA
115.77
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
152.19

Supplementary Information

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