Chemical ID: 6616545

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(c(c2)OC)OC)c3ccc(cc3)C(=O)OC
Chemical ID:
6616545
Name [?]:
methyl 4-[1-(2-diethylaminoethyl)-3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(c(c2)OC)OC)c3ccc(cc3)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H32N2O7
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.0164
Area:737.404
Solvation:-8.41872
Coulombic:-81.2078
Bond Count [?]
All:38
Single:28
Double:10
Rotors:12
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:496.552
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.4
LogP (Chemaxon):-0.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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