Chemical ID: 7018780

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCOC)O)C
Chemical ID:
7018780
Name [?]:
4-(2,5-dimethylbenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCOC)O)C
InChi [?]:
InChI=1/C25H29NO7/c1-14-7-8-15(2)17(11-14)22(27)20-21(26(9-10-30-3)25(29)23(20)28)16-12-18(31-4)24(33-6)19(13-16)32-5/h7-8,11-13,21,28H,9-10H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,33,31,23,27,25,3,4,28,29,7,21,17,2,5,16,6,20,18,10,15,8,11,19,12,14,9,32,13,30,22,26,24/E:(4,5)(12,13)(18,19)(31,32)/rA:33cCCCCCCCCOCCCONCCCCCCCOCOCOCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s14;s28;s29;s30;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO7
All Atoms:62
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:7.89438
Area:658.558
Solvation:-8.56957
Coulombic:-72.7275
Bond Count [?]
All:35
Single:26
Double:9
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:455.5
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.23
LogP (Chemaxon):2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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