CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1C(N)=NO)OCO3
الاسم: N'-hydroxy-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboximidamide
SMILES: CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1C(N)=NO)OCO3

Molecular Processing

Molecular formula
C18H17N5O5
Molecular weight
383.36
Exact mass
383.123
XLogP
2.03
TPSA
135.81
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
99.71

Supplementary Information

InChIKey: LPMDYDUHQBVIIQ-UHFFFAOYSA-N
مرادفات
LPMDYDUHQBVIIQ-UHFFFAOYSA-N(+/-)-8-Methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carbamidoxime
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