CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=O
SMILES: CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=O

Molecular Processing

Molecular formula
C22H27ClN4O5
Molecular weight
462.93
Exact mass
462.167
XLogP
2.05
TPSA
116.92
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
119.07

Supplementary Information

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