Cc1c(-c2ccccc2)c(Br)c2oc(C3CC3)nc2c1C#N
Nom: 7-bromo-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES: Cc1c(-c2ccccc2)c(Br)c2oc(C3CC3)nc2c1C#N

Molecular Processing

Molecular formula
C18H13BrN2O
Molecular weight
353.22
Exact mass
352.0211
XLogP
5.31
TPSA
49.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
88.57

Supplementary Information

InChIKey: AWGHBLIYRUAOCP-UHFFFAOYSA-N
Synonymes
SCHEMBL3296173AWGHBLIYRUAOCP-UHFFFAOYSA-N7-Bromo-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→