Chemical ID: 7033787

CCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)OCC
Chemical ID:
7033787
Name [?]:
4-(4-ethoxybenzoyl)-5-(3-ethoxy-4-propoxy-phenyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)OCC
InChi [?]:
InChI=1/C28H35NO7/c1-5-16-36-22-14-11-20(18-23(22)35-7-3)25-24(27(31)28(32)29(25)15-8-17-33-4)26(30)19-9-12-21(13-10-19)34-6-2/h9-14,18,25,31H,5-8,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,36,13,24,2,35,12,21,29,33,7,30,32,6,20,3,22,9,28,8,31,5,10,15,14,26,16,17,19,27,25,18,23,34,11,4/E:(9,10)(12,13)/rA:36cCCCOCCCCCCOCCCCCCONCCCOCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s23;s16;s15;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35NO7
All Atoms:71
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.0392
Area:796.082
Solvation:-9.86287
Coulombic:-71.8511
Bond Count [?]
All:38
Single:29
Double:9
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:497.58
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.47
LogP (Chemaxon):2.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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