Name: benzyl 3-[8-(3-methylbutylidene)-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]-propionate
SMILES:
CC(C)CC=C1CCC2(CC1)SCC(=O)N2CCC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C23H31NO3S
Molecular weight
401.57
Exact mass
401.2025
XLogP
4.94
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
113.76
Supplementary Information
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