Chemical ID: 4103259

CC1(CC(=O)C(CO1)C2(c3ccccc3N(C2=O)Cc4ccccc4)O)C
Chemical ID:
4103259
Name [?]:
1-benzyl-3-(6,6-dimethyl-4-oxo-tetrahydropyran-3-yl)-3-hydroxy-indolin-2-one
SMILES [?]:
CC1(CC(=O)C(CO1)C2(c3ccccc3N(C2=O)Cc4ccccc4)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:8.43134
Area:540.96
Solvation:-5.09268
Coulombic:-50.4209
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:365.422
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.15
LogP (Chemaxon):2.64

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