이름: benzyl N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate
SMILES:
C1C(CN(C1CO)C(=O)CCCCCNC(=O)OCC2=CC=CC=C2)OMolecular Processing
Molecular formula
C19H28N2O5
Molecular weight
364.44
Exact mass
364.1998
XLogP
1.43
TPSA
99.1
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
96.31
Supplementary Information
InChIKey: CQMALGRVGSCSDL-UHFFFAOYSA-N
동의어
SCHEMBL3426821CQMALGRVGSCSDL-UHFFFAOYSA-N[6-(4-Hydroxy-2-hydroxymethyl-pyrrolidin-1-yl)-6-oxo-hexyl]-carbamic Acid Benzyl Ester
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