CC1CC2=CC3=C(C=C2C(=NN1)C4=CC=C(C=C4)[N+](=O)[O-])OCO3
名称: 8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine
SMILES: CC1CC2=CC3=C(C=C2C(=NN1)C4=CC=C(C=C4)[N+](=O)[O-])OCO3

Molecular Processing

Molecular formula
C17H15N3O4
Molecular weight
325.32
Exact mass
325.1063
XLogP
2.61
TPSA
85.99
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
87.6

Supplementary Information

InChIKey: DJXIVFHYOLZSBW-UHFFFAOYSA-N
同義語
SCHEMBL5416313DJXIVFHYOLZSBW-UHFFFAOYSA-N1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine(+/-)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine(-)-1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine5-(4-nitrophenyl)-8-methyl-9H-7H-1,3-dioxolo[4,5-h][2,3]-benzodiazepine
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