名称: 5,11-dihydro-11-[1-oxo-2-methyl-6-(4-methyl-1-piperazinyl)-4-hexynyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILES:
CC(CC#CCN1CCN(C)CC1)C(=O)N1c2ccccc2C(=O)Nc2cccnc21Molecular Processing
Molecular formula
C24H27N5O2
Molecular weight
417.51
Exact mass
417.2165
XLogP
2.59
TPSA
68.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
121.27
Supplementary Information
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