Name: 3-Amino-7-(6-amino-3-azabicyclo[3.1.0]hex-3-yl)-1-cyclopropyl-6-fluoro-8-methyl-1H-quinazoline-2,4-dione hydrochloride
SMILES:
Cc1c(N2CC3C(N)C3C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12.ClMolecular Processing
Molecular formula
C17H21ClFN5O2
Molecular weight
381.84
Exact mass
381.1368
XLogP
0.47
TPSA
99.28
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.529
Molar refractivity
100
Supplementary Information
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