CC(C)C1(C)NC(C2(C(=O)O)C=CC=C(C3CC3)N2)=NC1=O
SMILES: CC(C)C1(C)NC(C2(C(=O)O)C=CC=C(C3CC3)N2)=NC1=O

Molecular Processing

Molecular formula
C16H21N3O3
Molecular weight
303.36
Exact mass
303.1583
XLogP
1.21
TPSA
90.79
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
82.27

Supplementary Information

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