Chemical ID: 4824082

CCOc1ccc(cc1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(c(c3)C)OC
Chemical ID:
4824082
Name [?]:
5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(c(c3)C)OC
InChi [?]:
InChI=1/C25H29NO6/c1-5-32-19-10-7-17(8-11-19)22-21(24(28)25(29)26(22)13-6-14-30-3)23(27)18-9-12-20(31-4)16(2)15-18/h7-12,15,22,28H,5-6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,20,32,2,17,6,8,25,5,9,26,16,18,29,28,7,24,4,27,11,10,22,12,13,15,23,21,14,19,31,3/E:(7,8)(10,11)/rA:32cCCOCCCCCCCCCCONCCCOCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s12;s11;d22;s22;s24;d25;s26;d27;d24s28;s28;s27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.67647
Area:706.141
Solvation:-7.97706
Coulombic:-64.6591
Bond Count [?]
All:34
Single:25
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.501
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.85
LogP (Chemaxon):2.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue