이름: 7-bromo-2-[ethoxy(hydroxy)methylidene]-4H-1,4-benzothiazin-3-one
SMILES:
CCOC(=C1C(=O)NC2=C(S1)C=C(C=C2)Br)OMolecular Processing
Molecular formula
C11H10BrNO3S
Molecular weight
316.18
Exact mass
314.9565
XLogP
3.26
TPSA
58.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
69.91
Supplementary Information
InChIKey: KWVMNJKUZZHUIY-UHFFFAOYSA-N
동의어
SCHEMBL489387GMCWDPDQFLQURY-UHFFFAOYSA-N7-bromo-3-hydroxy-4H-benzo[1,4]thiazine-2-carboxylic acid ethyl ester7-Bromo-3-hydroxy4H-benzo[1,4]thiazine-2-carboxylic acid ethyl ester
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