COCCNc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)S(C)(=O)=O)c(C(OC)OC)nc32)ncc1C#N
SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)S(C)(=O)=O)c(C(OC)OC)nc32)ncc1C#N

Molecular Processing

Molecular formula
C27H40N8O6S
Molecular weight
604.73
Exact mass
604.2792
XLogP
2.01
TPSA
162.25
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
14
Heavy atoms
42
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
158.81

Supplementary Information

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