Name: 3-(4-chloromethyl-thiazol-2-yl)-5-methyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILES:
CN1Cc2c(-c3nc(CCl)cs3)ncn2-c2ccccc2C1=OMolecular Processing
Molecular formula
C16H13ClN4OS
Molecular weight
344.83
Exact mass
344.0499
XLogP
3.32
TPSA
51.02
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
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
0.188
Molar refractivity
90.03
Supplementary Information
Details werden geladen…
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