Br.CCn1c(=O)n(C2CCNCC2)c(=O)c2cc([N+](=O)[O-])ccc21
Nombre: 1-ethyl-1,2,3,4-tetrahydro-6-nitro-2,4-dioxo-3-(4-piperidinyl)quinazoline hydrobromide
SMILES: Br.CCn1c(=O)n(C2CCNCC2)c(=O)c2cc([N+](=O)[O-])ccc21

Molecular Processing

Molecular formula
C15H19BrN4O4
Molecular weight
399.25
Exact mass
398.059
XLogP
1.59
TPSA
99.17
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.467
Molar refractivity
96.26

Supplementary Information

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