Name: 3-(4-dipropylaminomethyl-thiazol-2-yl)-5-methyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILES:
CCCN(CCC)Cc1csc(-c2ncn3c2CN(C)C(=O)c2ccccc2-3)n1Molecular Processing
Molecular formula
C22H27N5OS
Molecular weight
409.56
Exact mass
409.1936
XLogP
4.2
TPSA
54.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
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
0.409
Molar refractivity
116.33
Supplementary Information
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