Name: 2-chloro-4-[2-[[4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILES:
CCN(CC1=CC(=CC=C1)C2=NC(=NC=C2)NCCC3=CC(=C(C=C3)O)Cl)C4CCNCC4Molecular Processing
Molecular formula
C26H32ClN5O
Molecular weight
466.03
Exact mass
465.2295
XLogP
4.73
TPSA
73.31
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
134.75
Supplementary Information
InChIKey: DUGOUDMXRXYCSK-UHFFFAOYSA-N
Synonyms
SCHEMBL1469610DUGOUDMXRXYCSK-UHFFFAOYSA-N2-Chloro-4-[2-(4-{3-[(ethyl-piperidin-4-yl-amino)-methyl]-phenyl}-pyrimidin-2-ylamino)-ethyl]-phenol
Involved in 11 reactions→