이름: 8-bromo-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
SMILES:
CN(C1=CC=CC=C1Cl)C(=O)C2=CC3=C(S2)C4=C(C=C(C=C4)Br)OCC3Molecular Processing
Molecular formula
C20H15BrClNO2S
Molecular weight
448.77
Exact mass
446.9695
XLogP
6.04
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
110.84
Supplementary Information
InChIKey: OYPDYDMJBMAVDH-UHFFFAOYSA-N
동의어
SCHEMBL988314OYPDYDMJBMAVDH-UHFFFAOYSA-N8-bromo-N-(2-chlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide
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