Chemical ID: 5783873

COc1cc(cc(c1OC)OC)C(=O)NCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3
Chemical ID:
5783873
Name [?]:
N-[(4-benzyloxyphenyl)methyleneaminocarbamoylmethyl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)NCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C26H27N3O6/c1-32-22-13-20(14-23(33-2)25(22)34-3)26(31)27-16-24(30)29-28-15-18-9-11-21(12-10-18)35-17-19-7-5-4-6-8-19/h4-15H,16-17H2,1-3H3,(H,27,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,12,10,33,32,34,31,35,23,27,24,26,4,6,21,16,29,22,30,5,25,3,7,17,8,13,15,20,19,18,14,2,11,9,28/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(22,23)(32,33)/rA:35nCOCCCCCCOCOCCONCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27N3O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:8.79816
Area:756.904
Solvation:-10.1244
Coulombic:-69.3326
Bond Count [?]
All:37
Single:25
Double:12
Rotors:13
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:477.509
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:4.13
LogP (Chemaxon):2.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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