Chemical ID: 5175240

CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCOC)O)C(=O)c3cc(ccc3C)C
Chemical ID:
5175240
Name [?]:
4-(2,5-dimethylbenzoyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCOC)O)C(=O)c3cc(ccc3C)C
InChi [?]:
InChI=1/C25H29NO6/c1-6-32-19-10-9-17(14-20(19)31-5)22-21(24(28)25(29)26(22)11-12-30-4)23(27)18-13-15(2)7-8-16(18)3/h7-10,13-14,22,28H,6,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,32,31,21,11,2,28,29,6,5,18,19,26,8,27,30,7,25,4,9,13,12,23,14,15,17,24,22,16,20,10,3/rA:32cCCOCCCCCCOCCCCCONCCOCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;d13;s14;d15;s12s15;s17;s18;s19;s20;s14;s13;d23;s23;s25;d26;s27;d28;d25s29;s30;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.05749
Area:660.811
Solvation:-7.46278
Coulombic:-65.7564
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.501
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.87
LogP (Chemaxon):2.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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