이름: 2,9-dihydro-9-[(pyrrolidino)acetyl]-3H-pyrido[3,2-c]-s-triazolo[4,3-a]-[1,5]benzodiazepin-3-one
SMILES:
O=C(CN1CCCC1)N1c2ccccc2-n2c(n[nH]c2=O)-c2cccnc21Molecular Processing
Molecular formula
C19H18N6O2
Molecular weight
362.39
Exact mass
362.1491
XLogP
1.7
TPSA
87.12
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
100.24
Supplementary Information
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