Chemical ID: 7015092

COCCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
7015092
Name [?]:
3-hydroxy-4-(3-methoxybenzoyl)-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
COCCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C24H27NO8/c1-29-10-9-25-20(15-12-17(31-3)23(33-5)18(13-15)32-4)19(22(27)24(25)28)21(26)14-7-6-8-16(11-14)30-2/h6-8,11-13,20,27H,9-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,29,33,31,16,15,17,4,3,19,27,23,14,22,18,26,24,7,6,12,8,25,9,5,13,11,10,2,20,28,32,30/E:(3,4)(12,13)(17,18)(31,32)/rA:33cCOCCNCCCCOOCOCCCCCCOCCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s5s8;d9;s8;s7;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s6;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s24;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO8
All Atoms:60
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:6.04464
Area:673.429
Solvation:-10.7911
Coulombic:-78.0725
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:457.473
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.27
LogP (Chemaxon):1.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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