이름: 6,7-difluoro-2,9-dihydro-9-[ (dipropylamino)acetyl]-3H-pyrido[3,2-c]-s-triazolo[4,3-a][1,5]benzodiazepin-3-one
SMILES:
CCCN(CCC)CC(=O)N1c2cc(F)c(F)cc2-n2c(n[nH]c2=O)-c2cccnc21Molecular Processing
Molecular formula
C21H22F2N6O2
Molecular weight
428.44
Exact mass
428.1772
XLogP
3
TPSA
87.12
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
111.5
Supplementary Information
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