Chemical ID: 4825920

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCC)CCOC)O
Chemical ID:
4825920
Name [?]:
4-(4-ethoxybenzoyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCC)CCOC)O
InChi [?]:
InChI=1/C25H29NO7/c1-5-32-18-10-7-16(8-11-18)23(27)21-22(26(13-14-30-3)25(29)24(21)28)17-9-12-19(33-6-2)20(15-17)31-4/h7-12,15,22,28H,5-6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,32,25,2,27,6,8,19,5,9,20,29,30,23,7,18,4,21,22,12,17,10,13,14,16,11,33,15,31,24,3,26/E:(7,8)(10,11)/rA:33cCCOCCCCCCCOCCCONCCCCCCCOCOCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s16;s29;s30;s31;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:8.27933
Area:697.295
Solvation:-9.15303
Coulombic:-71.8156
Bond Count [?]
All:35
Single:26
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:455.5
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.33
LogP (Chemaxon):1.99

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Descriptor Annotations

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