C1=CC2=C(C=C1Cl)C(N(C(=O)N2)CC(F)(F)F)(C(F)(F)F)O
Название: 6-chloro-4-hydroxy-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one
SMILES: C1=CC2=C(C=C1Cl)C(N(C(=O)N2)CC(F)(F)F)(C(F)(F)F)O

Molecular Processing

Molecular formula
C11H7ClF6N2O2
Molecular weight
348.63
Exact mass
348.01
XLogP
3.46
TPSA
52.57
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
63.18

Supplementary Information

InChIKey: AAIZAVFSLPGTEI-UHFFFAOYSA-N
Синонимы
6-Chloro-4-hydroxy-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,4-dihydro-quinazolin-2(1H)-oneSCHEMBL24675756-chloro-4-hydroxy-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one
Источник →
Участвует в 8 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→