Chemical ID: 7390147

COc1ccc2cc([nH]c2c1)C(=O)NN=Cc3cc(c(c(c3)OC)OC)OC
Chemical ID:
7390147
Name [?]:
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyleneamino]-1H-indole-2-carboxamide
SMILES [?]:
COc1ccc2cc([nH]c2c1)C(=O)NN=Cc3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C20H21N3O5/c1-25-14-6-5-13-9-16(22-15(13)10-14)20(24)23-21-11-12-7-17(26-2)19(28-4)18(8-12)27-3/h5-11,22H,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,28,26,5,4,22,18,7,11,16,17,6,3,10,8,21,19,20,12,15,9,14,13,2,23,27,25/E:(2,3)(7,8)(17,18)(26,27)/rA:28nCOCCCCCCNCCCONNCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d6s9;d3s10;s8;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O5
All Atoms:49
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.71668
Area:622.283
Solvation:-8.84039
Coulombic:-59.0855
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:383.398
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.42
LogP (Chemaxon):2.4

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Descriptor Annotations

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