CC1=CC(=C(C=C1)NC(=O)NC2=NC=C(S2)Br)C(=O)C3CCCC3
Name: 1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea
SMILES: CC1=CC(=C(C=C1)NC(=O)NC2=NC=C(S2)Br)C(=O)C3CCCC3

Molecular Processing

Molecular formula
C17H18BrN3O2S
Molecular weight
408.32
Exact mass
407.0303
XLogP
5.23
TPSA
71.09
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
99.92

Supplementary Information

InChIKey: ZVESGGGUTCWYOH-UHFFFAOYSA-N
Synonyme
SCHEMBL1341036ZVESGGGUTCWYOH-UHFFFAOYSA-N1-(5-bromo-thiazol-2-yl)-3-(2-cyclo pentanecarbonyl-4-methyl-phenyl)-urea1-(5-bromo-thiazol-2-yl)-3-(2-cyclopentanecarbonyl-4-methyl-phenyl)-urea1-(5-bromothiazol-2-yl)-3-(2-cyclo pentanecarbonyl-4-methyl-phenyl)-urea1-(5-bromothiazol-2-yl)-3-(2-cyclopentanecarbonyl-4-methyl-phenyl)-urea
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