CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCC(C4=CC=NC=C4)O
Name: 1-[2-(1-adamantyl)ethyl]-3-(3-hydroxy-3-pyridin-4-ylpropyl)-1-pentylurea
SMILES: CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCC(C4=CC=NC=C4)O

Molecular Processing

Molecular formula
C26H41N3O2
Molecular weight
427.63
Exact mass
427.3199
XLogP
5.31
TPSA
65.46
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
31
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
123.53

Supplementary Information

InChIKey: XFOLXQRCHOAHDJ-UHFFFAOYSA-N
Synonyme
SCHEMBL1678067XFOLXQRCHOAHDJ-UHFFFAOYSA-N1-[2-(1-Adamantyl)ethyl]-3-[3-hydroxy-3-(4-pyridyl)propyl]-1-pentylurea
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