Name: 2-chloro-5-(2-hydroxy-2-methylpropyl)-6a-methyl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6(5H)-one
SMILES:
CC(C)(O)CN1C(=O)C2(C)COCCN2c2nc(Cl)ncc21Molecular Processing
Molecular formula
C14H19ClN4O3
Molecular weight
326.78
Exact mass
326.1146
XLogP
0.84
TPSA
78.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
82.26
Supplementary Information
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