Chemical ID: 4285664

CC(=C1C(=NN(C1=O)c2nc3ccccc3s2)c4ccccc4)NC5CC5
Chemical ID:
4285664
Name [?]:
2-benzothiazol-2-yl-4-(1-cyclopropylaminoethylidene)-5-phenyl-pyrazol-3-one
SMILES [?]:
CC(=C1C(=NN(C1=O)c2nc3ccccc3s2)c4ccccc4)NC5CC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.2992
Area:584.787
Solvation:-2.32048
Coulombic:-36.7747
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:374.46
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.19
LogP (Chemaxon):4.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue