Chemical ID: 4564551

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
4564551
Name [?]:
3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C25H29NO8/c1-30-12-6-11-26-21(16-13-18(32-3)24(34-5)19(14-16)33-4)20(23(28)25(26)29)22(27)15-7-9-17(31-2)10-8-15/h7-10,13-14,21,28H,6,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,22,30,34,32,4,16,20,17,19,5,3,28,24,15,23,18,27,25,8,7,13,9,26,10,6,14,12,11,2,21,29,33,31/E:(3,4)(7,8)(9,10)(13,14)(18,19)(32,33)/rA:34cCOCCCNCCCCOOCOCCCCCCOCCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s7;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s25;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO8
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:5.79359
Area:698.022
Solvation:-11.6569
Coulombic:-77.3319
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:2.62
LogP (Chemaxon):1.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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