C1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC=C(S3)Br
Name: 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
SMILES: C1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC=C(S3)Br

Molecular Processing

Molecular formula
C16H24BrN3OS
Molecular weight
386.36
Exact mass
385.0823
XLogP
5.4
TPSA
45.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
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
0.75
Molar refractivity
94.42

Supplementary Information

InChIKey: STHOWZJDOMOQTM-UHFFFAOYSA-N
Synonyme
SCHEMBL1000186STHOWZJDOMOQTM-UHFFFAOYSA-N3-(5-bromo-thiazol-2-yl)-1,1-dicyclohexyl-urea
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