Chemical ID: 7015128

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCOC)O
Chemical ID:
7015128
Name [?]:
4-(3-ethoxybenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCOC)O
InChi [?]:
InChI=1/C25H29NO8/c1-6-34-17-9-7-8-15(12-17)22(27)20-21(26(10-11-30-2)25(29)23(20)28)16-13-18(31-3)24(33-5)19(14-16)32-4/h7-9,12-14,21,28H,6,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,33,25,29,27,2,6,7,5,30,31,9,23,19,8,18,4,22,20,12,17,10,13,21,14,16,11,34,15,32,24,28,26,3/E:(3,4)(13,14)(18,19)(31,32)/rA:34cCCOCCCCCCCOCCCONCCCCCCCOCOCOCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;s16;s30;s31;s32;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO8
All Atoms:63
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:6.7893
Area:700.93
Solvation:-10.734
Coulombic:-78.2784
Bond Count [?]
All:36
Single:27
Double:9
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:471.5
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.69
LogP (Chemaxon):1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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