COC1CN(CCC1NC(=O)OCC2=CC=CC=C2)C(=O)N
이름: benzyl N-[(3R,4S)-1-carbamoyl-3-methoxypiperidin-4-yl]carbamate
SMILES: COC1CN(CCC1NC(=O)OCC2=CC=CC=C2)C(=O)N

Molecular Processing

Molecular formula
C15H21N3O4
Molecular weight
307.35
Exact mass
307.1532
XLogP
1.08
TPSA
93.89
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
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
0.467
Molar refractivity
80.12

Supplementary Information

InChIKey: QSXDUKMHJPNTMU-QWHCGFSZSA-N
동의어
QSXDUKMHJPNTMU-QWHCGFSZSA-Ncis(+/-)-benzyl (1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
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