O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2nccn2Cc2ccccc21
Name: 4,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-5-yl-(4-nitrophenyl)methanone
SMILES: O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2nccn2Cc2ccccc21

Molecular Processing

Molecular formula
C18H14N4O3
Molecular weight
334.34
Exact mass
334.1066
XLogP
3
TPSA
81.27
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
91.38

Supplementary Information

InChIKey: XATSGMYOTPTYDU-UHFFFAOYSA-N
Synonyme
SCHEMBL7331944XATSGMYOTPTYDU-UHFFFAOYSA-N10,11,Dihydro-10-(4-nitrobenzoyl)-5H-imidazo[2,1-c][1,4]benzodiazepine10,11-dihydro-10-(4-nitrobenzoyl)-5H-imidazo[2,1-c][1,4]benzodiazepine10,11-Dihydro-10-(4-nitrobenzoyl)-5H-imidazo[2,1-c]-[1,4]benzodiazepine
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