Chemical ID: 4815106

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)Br)CCO)O
Chemical ID:
4815106
Name [?]:
5-(4-bromophenyl)-3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)Br)CCO)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18BrNO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.93682
Area:567.923
Solvation:-4.26125
Coulombic:-61.2206
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:416.265
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):3.04

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