이름: 1-(6-bromo-7-hydroxy-1,3-benzothiazol-2-yl)-3-ethylurea
SMILES:
CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)Br)OMolecular Processing
Molecular formula
C10H10BrN3O2S
Molecular weight
316.18
Exact mass
314.9677
XLogP
2.91
TPSA
74.25
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
71.68
Supplementary Information
InChIKey: YEEPJKBDLCULBB-UHFFFAOYSA-N
동의어
SCHEMBL6067813YEEPJKBDLCULBB-UHFFFAOYSA-N1-(6-Bromo-7-hydroxy-2-benzothiazolyl)-3-ethyl-urea1-(6-bromo-7-hydroxy-2-benzothiazolyl)-3-ethylurea
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