이름: 7-chloro-5-(2-chlorophenyl)-8-methoxy-3-methyl-1-prop-2-enyl-10H-pyrazolo[5,4-b][1,4]benzodiazepine
SMILES:
CC1=NN(C2=C1N=C(C3=CC(=C(C=C3N2)OC)Cl)C4=CC=CC=C4Cl)CC=CMolecular Processing
Molecular formula
C21H18Cl2N4O
Molecular weight
413.31
Exact mass
412.0858
XLogP
5.92
TPSA
51.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
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
0.143
Molar refractivity
115.2
Supplementary Information
InChIKey: KKPMOOWVIMQONV-UHFFFAOYSA-N
동의어
SCHEMBL3825609YZRHJZKDJDNJHG-UHFFFAOYSA-N7-chloro-5-(2-chlorophenyl)-1,2-dihydro-8-methoxy-3-methyl-1-(2-propenyl)-pyrazolo[3,4-b][1,4]benzodiazepine
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