C1CC(CCC1C(=O)N2CC3=C(C2)C=C(C=C3)CO)NC(=O)OCC4=CC=CC=C4
Name: benzyl N-[4-[5-(hydroxymethyl)-1,3-dihydroisoindole-2-carbonyl]cyclohexyl]carbamate
SMILES: C1CC(CCC1C(=O)N2CC3=C(C2)C=C(C=C3)CO)NC(=O)OCC4=CC=CC=C4

Molecular Processing

Molecular formula
C24H28N2O4
Molecular weight
408.5
Exact mass
408.2049
XLogP
3.51
TPSA
78.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
112.13

Supplementary Information

InChIKey: JBGSFRNIZDUPEW-UHFFFAOYSA-N
Synonyms
N-benzyloxycarbonyl-trans-4-((5-hydroxylmethyl-2-isoindolinyl)carbonyl]cyclohexylamineN-benzyloxycarbonyl-trans-4-[(5-hydroxylmethyl-2-isoindolinyl)carbonyl]cyclohexylamineSCHEMBL4711358SCHEMBL4711359JBGSFRNIZDUPEW-XYWHTSSQSA-NN-benzyloxycarbonyl-trans-4-[(5-hydroxymethyl-2-isoindolinyl)carbonyl]cyclohexylamine
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Involved in 4 reactions→

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