Chemical ID: 4564703

Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCCOC)O
Chemical ID:
4564703
Name [?]:
3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCCOC)O
InChi [?]:
InChI=1/C29H37NO8/c1-17(2)16-38-21-10-9-19(13-18(21)3)26(31)24-25(30(11-8-12-34-4)29(33)27(24)32)20-14-22(35-5)28(37-7)23(15-20)36-6/h9-10,13-15,17,25,32H,8,11-12,16H2,1-7H3
InChi Info:
AuxInfo=1/0/N:11,12,1,37,28,32,30,34,5,6,33,35,3,26,22,9,10,2,4,21,7,25,23,15,20,13,16,24,17,19,14,38,18,36,27,31,29,8/E:(1,2)(5,6)(14,15)(22,23)(35,36)/rA:38cCCCCCCCOCCCCCOCCCONCCCCCCCOCOCOCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s10;s4;d13;s13;d15;s16;d17;s17;s15s19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s23;s31;s19;s33;s34;s35;s36;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H37NO8
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:8.71924
Area:806.927
Solvation:-11.4539
Coulombic:-78.3005
Bond Count [?]
All:40
Single:31
Double:9
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:527.606
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.93
LogP (Chemaxon):2.78

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Descriptor Annotations

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