COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3cn4cc(NC(=O)OC(C)(C)C)nc4s3)cc2)[nH]1)C(C)C
SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3cn4cc(NC(=O)OC(C)(C)C)nc4s3)cc2)[nH]1)C(C)C

Molecular Processing

Molecular formula
C30H37N7O5S
Molecular weight
607.74
Exact mass
607.2577
XLogP
5.84
TPSA
142.95
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
163.8

Supplementary Information

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