Cc1nc(NC(=O)CNC(=O)OC(C)(C)C)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1
SMILES: Cc1nc(NC(=O)CNC(=O)OC(C)(C)C)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1

Molecular Processing

Molecular formula
C21H23N7O5S
Molecular weight
485.53
Exact mass
485.1481
XLogP
4.02
TPSA
161.27
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
127.12

Supplementary Information

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