CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)NCCc4cccs4)c3)CC2C1
SMILES: CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)NCCc4cccs4)c3)CC2C1

Molecular Processing

Molecular formula
C23H30N4O3S
Molecular weight
442.59
Exact mass
442.2039
XLogP
3.42
TPSA
74.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
121.59

Supplementary Information

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