C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CCCNC(=S)NCCCN(CC5=CC=C(C=C5)Br)C6=CC=CC=N6
Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]propyl]-3-[3-(1-tritylimidazol-4-yl)propyl]thiourea
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CCCNC(=S)NCCCN(CC5=CC=C(C=C5)Br)C6=CC=CC=N6

Molecular Processing

Molecular formula
C41H41BrN6S
Molecular weight
729.79
Exact mass
728.2297
XLogP
8.37
TPSA
58.01
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
15
Heavy atoms
49
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.195
Molar refractivity
207.8

Supplementary Information

InChIKey: SKBAMDYJFONCBF-UHFFFAOYSA-N
Synonyms
SCHEMBL7426650SKBAMDYJFONCBF-UHFFFAOYSA-N1-[3-(1-triphenylmethylimidazol-4-yl)propyl]-3-[3-[N-(4-bromobenzyl)-N-(pyridin-2-yl)amino]propyl]thiourea1-[3-(1-triphenylmethylimidazol-4-yl)propyl]-3-[3[N-(4-bromobenzyl)-N-(pyridin-2-yl)amino]propyl]thiourea
View source →
Involved in 4 reactions→

Extended Search

Substructure Search→Similarity Search→