Name: (8R,9aR)-8-[(5-Cyclopropylpyrazin-2-yl)oxy]octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one hydrochloride
SMILES:
Cl.O=C1CCNC[C@H]2C[C@@H](Oc3cnc(C4CC4)cn3)CN12Molecular Processing
Molecular formula
C15H21ClN4O2
Molecular weight
324.81
Exact mass
324.1353
XLogP
1.12
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.667
Molar refractivity
83.28
Supplementary Information
Details werden geladen…
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