Название: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(3-methyl-4-nitrophenyl)methanone
SMILES:
Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C20H17N3O3
Molecular weight
347.37
Exact mass
347.127
XLogP
3.91
TPSA
68.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
98.32
Supplementary Information
InChIKey: KZUIZMXZHNIGLO-UHFFFAOYSA-N
Синонимы
SCHEMBL7331322KZUIZMXZHNIGLO-UHFFFAOYSA-N10,11-dihydro-10-(3-methyl-4-nitro-benzoyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine
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