Name: 10,11-dihydro-10-(6-amino-3-pyridinylcarbonyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILES:
Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1Molecular Processing
Molecular formula
C18H16N4O
Molecular weight
304.35
Exact mass
304.1324
XLogP
2.67
TPSA
64.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
89.14
Supplementary Information
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Involved in 6 reactions→