CCOC1=C(C=CC(=C1)C(C)(C)C)C2=NC(C(N2)(C)C3=CC=C(C=C3)Cl)(C)C4=CC=C(C=C4)Cl
이름: 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazole
SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2=NC(C(N2)(C)C3=CC=C(C=C3)Cl)(C)C4=CC=C(C=C4)Cl

Molecular Processing

Molecular formula
C29H32Cl2N2O
Molecular weight
495.49
Exact mass
494.1892
XLogP
7.87
TPSA
33.62
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
143.59

Supplementary Information

InChIKey: OOVOROVEJRZNDO-UHFFFAOYSA-N
동의어
SCHEMBL3538859OOVOROVEJRZNDO-UHFFFAOYSA-N(4R,5S)-2-(4-(tert-Butyl)-2-ethoxyphenyl)-4,5-bis-(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazolerac-(4S*,5R*)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazolerac-(4S*,5R*)-4,5-bis(4-chlorophenyl)-2-(4-(tert-butyl)-2-ethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
출처 보기 →
45개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→