Chemical ID: 4403453

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC(C)C)c3ccc(cc3)C(=O)OC
Chemical ID:
4403453
Name [?]:
methyl 4-[1-(2-diethylaminoethyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-5-oxo-2H-pyrrol-2-yl]benzoate
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC(C)C)c3ccc(cc3)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H34N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.9987
Area:767.414
Solvation:-6.18663
Coulombic:-75.7036
Bond Count [?]
All:38
Single:28
Double:10
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:494.579
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.63
LogP (Chemaxon):0.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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