이름: 1-(6-bromo-7-propan-2-yloxy-1,3-benzothiazol-2-yl)-3-ethylurea
SMILES:
CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)Br)OC(C)CMolecular Processing
Molecular formula
C13H16BrN3O2S
Molecular weight
358.26
Exact mass
357.0147
XLogP
3.99
TPSA
63.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
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
0.385
Molar refractivity
85.78
Supplementary Information
InChIKey: AJCKJTOADHJQLY-UHFFFAOYSA-N
동의어
SCHEMBL6067987AJCKJTOADHJQLY-UHFFFAOYSA-N1-(6-Bromo-7-isopropoxy-2-benzothiazolyl)-3-ethyl-urea1-(6-bromo-7-isopropoxy-2-benzothiazolyl)-3-ethylurea
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