Chemical ID: 4861583

Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4ccc(cc4)OCC=C)CCOC)O
Chemical ID:
4861583
Name [?]:
5-(4-allyloxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4ccc(cc4)OCC=C)CCOC)O
InChi [?]:
InChI=1/C31H31NO6/c1-4-17-37-25-12-8-23(9-13-25)28-27(30(34)31(35)32(28)16-18-36-3)29(33)24-10-14-26(15-11-24)38-20-22-7-5-6-21(2)19-22/h4-15,19,28,34H,1,16-18,20H2,2-3H3
InChi Info:
AuxInfo=1/0/N:33,1,37,32,4,3,5,25,29,12,14,26,28,11,15,34,31,35,7,8,2,6,24,13,27,10,18,23,16,19,20,22,17,38,21,36,30,9/E:(8,9)(10,11)(12,13)(14,15)/rA:38cCCCCCCCCOCCCCCCCOCCCONCCCCCCCOCCCCCOCO/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;s27;s30;s31;d32;s22;s34;s35;s36;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H31NO6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:12.4504
Area:799.607
Solvation:-7.53978
Coulombic:-69.0646
Bond Count [?]
All:41
Single:28
Double:13
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:513.581
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.6
LogP (Chemaxon):4.54

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Descriptor Annotations

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