Name: 7-chloro-3-(4-dipropylaminomethyl-thiazol-2-yl)-8-fluoro-5-methyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILES:
CCCN(CCC)Cc1csc(-c2ncn3c2CN(C)C(=O)c2c-3ccc(F)c2Cl)n1Molecular Processing
Molecular formula
C22H25ClFN5OS
Molecular weight
461.99
Exact mass
461.1452
XLogP
5
TPSA
54.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
121.3
Supplementary Information
Details werden geladen…
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