Chemical ID: 4855236

Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)OC)CCOC)O
Chemical ID:
4855236
Name [?]:
3-hydroxy-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)OC)CCOC)O
InChi [?]:
InChI=1/C29H29NO6/c1-19-6-4-7-20(16-19)18-36-23-12-10-21(11-13-23)27(31)25-26(22-8-5-9-24(17-22)35-3)30(14-15-34-2)29(33)28(25)32/h4-13,16-17,26,32H,14-15,18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,31,4,26,3,5,25,27,12,14,11,15,32,33,7,29,8,2,6,13,24,10,28,18,23,16,19,20,22,17,36,21,34,30,9/E:(10,11)(12,13)/rA:36cCCCCCCCCOCCCCCCCOCCCONCCCCCCCOCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;d18;s19;d20;s20;s18s22;s23;s24;d25;s26;d27;d24s28;s28;s30;s22;s32;s33;s34;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H29NO6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.2044
Area:748.812
Solvation:-7.51593
Coulombic:-67.1268
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:487.544
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.99
LogP (Chemaxon):3.8

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Descriptor Annotations

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