Chemical ID: 7022581

CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3C)OC
Chemical ID:
7022581
Name [?]:
3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)-5-(4-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3C)OC
InChi [?]:
InChI=1/C28H35NO6/c1-5-6-7-17-35-21-11-9-20(10-12-21)25-24(27(31)28(32)29(25)15-8-16-33-3)26(30)23-14-13-22(34-4)18-19(23)2/h9-14,18,25,31H,5-8,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,23,35,2,3,4,20,9,11,8,12,29,28,19,21,5,31,32,10,7,30,27,14,13,25,15,16,18,26,24,17,22,34,6/E:(9,10)(11,12)/rA:35cCCCCCOCCCCCCCCCCONCCCOCOCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s15;s14;d25;s25;s27;d28;s29;d30;d27s31;s32;s30;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35NO6
All Atoms:70
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.4259
Area:738.334
Solvation:-8.03242
Coulombic:-65.5607
Bond Count [?]
All:37
Single:28
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:481.581
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.55
LogP (Chemaxon):3.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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