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Chemical ID: 5783873
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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