Chemical ID: 7032713

CCCCOc1cccc(c1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)C
Chemical ID:
7032713
Name [?]:
5-(3-butoxyphenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H34N2O4
All Atoms:67
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.4022
Area:744.993
Solvation:-5.22258
Coulombic:-56.9954
Bond Count [?]
All:35
Single:26
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:450.57
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.11
LogP (Chemaxon):0.85

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