Nom: 6-Methyl-7-propyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene-13-carboxylic acid tert-butyl ester
SMILES:
CCCn1c(C)nc2cc3c(cc21)C1CC3CN(C(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C21H29N3O2
Molecular weight
355.48
Exact mass
355.226
XLogP
4.58
TPSA
47.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
102.67
Supplementary Information
Récupération des détails…
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