Name: tert-butyl (8S,9aS)-8-[(5-cyclopropylpyrazin-2-yl)oxy]-5-oxohexahydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(=O)N2C[C@@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1Molecular Processing
Molecular formula
C20H28N4O4
Molecular weight
388.47
Exact mass
388.2111
XLogP
2.34
TPSA
84.86
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
100.97
Supplementary Information
Details werden geladen…
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