名称: N-[2-(5-chloro-2-cyclopentyl-4,6-dioxo-tetrahydro-pyran-2-yl)-ethyl]-3-furan-2-yl-propionamide
SMILES:
O=C(CCc1ccco1)NCCC1(C2CCCC2)CC(=O)C(Cl)C(=O)O1Molecular Processing
Molecular formula
C19H24ClNO5
Molecular weight
381.86
Exact mass
381.1343
XLogP
2.77
TPSA
85.61
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
94.7
Supplementary Information
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