이름: (1RS,3aSR,4RS,6aSR)-4-(5-benzo[1,3]dioxol-5-ylmethyl-4-isopropyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo-[3,4-c]pyrrol-1-yl)-benzonitrile
SMILES:
CC(C)C1C2C(C(=O)N1Cc1ccc3c(c1)OCO3)C(c1ccc(C#N)cc1)N(C)C2(C)CMolecular Processing
Molecular formula
C27H31N3O3
Molecular weight
445.56
Exact mass
445.2365
XLogP
4.35
TPSA
65.8
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
124.46
Supplementary Information
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