Chemical ID: 4648007

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OC)CCCN(C)C)O
Chemical ID:
4648007
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OC)CCCN(C)C)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H32N2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.5877
Area:723.856
Solvation:-6.50871
Coulombic:-62.7104
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:452.543
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.12
LogP (Chemaxon):-0.37

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