Chemical ID: 7034680

CCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccccc3
Chemical ID:
7034680
Name [?]:
4-benzoyl-5-(3,4-diethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccccc3
InChi [?]:
InChI=1/C24H27NO6/c1-4-30-18-12-11-17(15-19(18)31-5-2)21-20(22(26)16-9-7-6-8-10-16)23(27)24(28)25(21)13-14-29-3/h6-12,15,21,27H,4-5,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,22,2,11,29,28,30,27,31,6,5,19,20,8,26,7,4,9,14,13,24,15,16,18,25,23,17,21,3,10/E:(7,8)(9,10)/rA:31cCCOCCCCCCOCCCCCCONCCOCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s15;s14;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO6
All Atoms:58
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.75434
Area:663.457
Solvation:-7.83208
Coulombic:-65.8106
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:425.474
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.42
LogP (Chemaxon):2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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