Chemical ID: 6182221

CCOc1cc(cc(c1OCC)OCC)C(=O)NCC(=O)NN=Cc2ccccc2
Chemical ID:
6182221
Name [?]:
N-(benzylideneaminocarbamoylmethyl)-3,4,5-triethoxy-benzamide
SMILES [?]:
CCOc1cc(cc(c1OCC)OCC)C(=O)NCC(=O)NN=Cc2ccccc2
InChi [?]:
InChI=1/C22H27N3O5/c1-4-28-18-12-17(13-19(29-5-2)21(18)30-6-3)22(27)23-15-20(26)25-24-14-16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,23,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,15,12,2,14,11,28,27,29,26,30,5,7,24,19,25,6,4,8,20,9,16,18,23,22,21,17,3,13,10/E:(1,2)(4,5)(8,9)(10,11)(12,13)(18,19)(28,29)/rA:30nCCOCCCCCCOCCOCCCONCCONNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s13;s14;s6;d16;s16;s18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.14761
Area:686.269
Solvation:-8.00911
Coulombic:-62.0614
Bond Count [?]
All:31
Single:22
Double:9
Rotors:13
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:413.467
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.78
LogP (Chemaxon):2.44

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Descriptor Annotations

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