Chemical ID: 5293329

CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3OC)OC)CCOC)O
Chemical ID:
5293329
Name [?]:
5-(2,3-dimethoxyphenyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3OC)OC)CCOC)O
InChi [?]:
InChI=1/C26H31NO7/c1-16(2)15-34-18-11-9-17(10-12-18)23(28)21-22(27(13-14-31-3)26(30)24(21)29)19-7-6-8-20(32-4)25(19)33-5/h6-12,16,22,29H,13-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,33,29,27,22,21,23,8,10,7,11,30,31,4,2,9,6,20,24,14,19,12,15,25,16,18,13,34,17,32,28,26,5/E:(1,2)(9,10)(11,12)/rA:34cCCCCOCCCCCCCOCCCONCCCCCCCOCOCCCOCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s25;s26;s24;s28;s18;s30;s31;s32;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO7
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.37398
Area:691.393
Solvation:-7.91086
Coulombic:-74.0647
Bond Count [?]
All:36
Single:27
Double:9
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:469.527
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.56
LogP (Chemaxon):2.52

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