Chemical ID: 4646502

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Br)CCCN(C)C)O
Chemical ID:
4646502
Name [?]:
5-(3-bromophenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Br)CCCN(C)C)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29BrN2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.5617
Area:714.037
Solvation:-5.28928
Coulombic:-56.1385
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:501.413
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.01
LogP (Chemaxon):0.64

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