COC1=CC2=C(C(=C1)Br)OC3=C2C4C(C(C3)C5=CC=CC=C5Cl)C(=O)NC4=O
الاسم: 7-bromo-4-(2-chlorophenyl)-9-methoxy-3a,4,5,10c-tetrahydro-[1]benzofuro[3,2-e]isoindole-1,3-dione
SMILES: COC1=CC2=C(C(=C1)Br)OC3=C2C4C(C(C3)C5=CC=CC=C5Cl)C(=O)NC4=O

Molecular Processing

Molecular formula
C21H15BrClNO4
Molecular weight
460.71
Exact mass
458.9873
XLogP
4.55
TPSA
68.54
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
107.74

Supplementary Information

InChIKey: ZDDUJHVLZCDXRJ-UHFFFAOYSA-N
مرادفات
SCHEMBL5829419ZDDUJHVLZCDXRJ-UHFFFAOYSA-N7-Bromo-4-(2-chlorophenyl)-9-methoxy-3a,4,5,10c-tetrahydro-1H-[1]benzofuro[3,2-e]isoindole-1,3(2H)-dione
عرض المصدر →
مشارك في 3 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→