Chemical ID: 6018319

CCc1cccc2c1[nH]cc2C(CC(=O)NCCc3ccc(c(c3)OC)OC)c4cc(cc(c4)OC)OC
Chemical ID:
6018319
Name [?]:
3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-propanamide
SMILES [?]:
CCc1cccc2c1[nH]cc2C(CC(=O)NCCc3ccc(c(c3)OC)OC)c4cc(cc(c4)OC)OC
InChi [?]:
InChI=1/C31H36N2O5/c1-6-21-8-7-9-25-27(19-33-31(21)25)26(22-15-23(35-2)17-24(16-22)36-3)18-30(34)32-13-12-20-10-11-28(37-4)29(14-20)38-5/h7-11,14-17,19,26,33H,6,12-13,18H2,1-5H3,(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,36,38,28,26,2,5,4,6,20,21,18,17,24,34,30,32,13,10,19,3,29,33,31,7,12,11,22,23,14,8,16,9,15,35,37,27,25/E:(2,3)(15,16)(23,24)(35,36)/rA:38cCCCCCCCCNCCCCCONCCCCCCCCOCOCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;s12;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s12;s29;d30;s31;d32;d29s33;s33;s35;s31;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H36N2O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.0037
Area:808.493
Solvation:-9.20865
Coulombic:-60.1125
Bond Count [?]
All:41
Single:30
Double:11
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:516.628
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.92
LogP (Chemaxon):5.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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