CN(C)CCCNc1ccc2c3c(cccc13)C(=O)N(CCSSCCN1C(=O)c3cccc4c(NCCCN(C)C)ccc(c34)C1=O)C2=O
SMILES: CN(C)CCCNc1ccc2c3c(cccc13)C(=O)N(CCSSCCN1C(=O)c3cccc4c(NCCCN(C)C)ccc(c34)C1=O)C2=O

Molecular Processing

Molecular formula
C38H44N6O4S2
Molecular weight
712.94
Exact mass
712.2865
XLogP
5.99
TPSA
105.3
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
17
Heavy atoms
50
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
206.87

Supplementary Information

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