CC(C)(C)OC(=O)n1ccc2c(-c3cnc(NCCN4C(=O)NC(=O)C4(C)C)nc3-c3ccc(Cl)s3)cccc21
SMILES: CC(C)(C)OC(=O)n1ccc2c(-c3cnc(NCCN4C(=O)NC(=O)C4(C)C)nc3-c3ccc(Cl)s3)cccc21

Molecular Processing

Molecular formula
C28H29ClN6O4S
Molecular weight
581.1
Exact mass
580.166
XLogP
6.01
TPSA
118.45
H-bond donors
2
H-bond acceptors
8
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
12
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
155.73

Supplementary Information

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