CCNC(=O)C1OC(n2cnc3c(N)nc(C#CCC4CCC(C(N)=O)CC4)nc32)C(O)C1O
SMILES: CCNC(=O)C1OC(n2cnc3c(N)nc(C#CCC4CCC(C(N)=O)CC4)nc32)C(O)C1O

Molecular Processing

Molecular formula
C22H29N7O5
Molecular weight
471.52
Exact mass
471.223
XLogP
-0.8
TPSA
191.5
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
120.48

Supplementary Information

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