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

Molecular Processing

Molecular formula
C15H21N3O3S
Molecular weight
323.42
Exact mass
323.1304
XLogP
1.25
TPSA
76.82
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
87.32

Supplementary Information

InChIKey: WQUZVXGBDNJGRJ-QWHCGFSZSA-N
同義語
WQUZVXGBDNJGRJ-QWHCGFSZSA-NBenzyl cis(+/-)-(1-carbamothioyl-3-methoxypiperidin-4-yl)-carbamate
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