名称: 3-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
SMILES:
C1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC(=CS3)CBrMolecular Processing
Molecular formula
C17H26BrN3OS
Molecular weight
400.39
Exact mass
399.098
XLogP
5.54
TPSA
45.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.765
Molar refractivity
99.35
Supplementary Information
InChIKey: HETPDHBKPMBSJU-UHFFFAOYSA-N
同義語
SCHEMBL998886HETPDHBKPMBSJU-UHFFFAOYSA-N1,1-dicyclohexyl-3-(4-bromomethyl-thiazol-2-yl)urea1,1-dicyclohexyl-3-(4-bromomethyl-thiazol-2-yl) urea
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