CC1=C(C=C(C(=C1OC)NC(=O)OCC(Cl)(Cl)Cl)C(=O)N2CCCC2CO)OC
이름: 2,2,2-trichloroethyl N-[6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,4-dimethoxy-3-methylphenyl]carbamate
SMILES: CC1=C(C=C(C(=C1OC)NC(=O)OCC(Cl)(Cl)Cl)C(=O)N2CCCC2CO)OC

Molecular Processing

Molecular formula
C18H23Cl3N2O6
Molecular weight
469.75
Exact mass
468.0622
XLogP
3.53
TPSA
97.33
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
110.69

Supplementary Information

InChIKey: DFZBPSUYLVWHBD-UHFFFAOYSA-N
동의어
SCHEMBL5962757DFZBPSUYLVWHBD-UHFFFAOYSA-NN-(4-Methyl-3,5-dimethoxy-2-[trichloroethyloxycarbonylamino]-benzoyl)pyrrolidine-2-methanolN-(4-Methyl-3,5-dimethoxy-2-[trichloroethyloxycarbonylamino]-benzoyl) pyrrolidine-2-methanol
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