COC(=O)C12CC3CC(CC(N)(C3)C1C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(N)CCSC)C2
SMILES: COC(=O)C12CC3CC(CC(N)(C3)C1C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(N)CCSC)C2

Molecular Processing

Molecular formula
C28H40N4O5S
Molecular weight
544.72
Exact mass
544.2719
XLogP
1.18
TPSA
153.61
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
38
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
145.99

Supplementary Information

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