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Chemical ID: 6876268
Chemical ID:
6876268
Name [?]:
4-(aminocarbamoylmethoxy)-N-(2-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)NN
InChi [?]:
InChI=1/C16H17N3O4/c1-22-14-5-3-2-4-13(14)18-16(21)11-6-8-12(9-7-11)23-10-15(20)19-17/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,13,17,14,16,19,12,15,8,3,20,10,23,9,22,21,11,2,18/E:(6,7)(8,9)/rA:23nCOCCCCCCNCOCCCCCCOCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O4 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63458 |
Area: | 532.591 |
Solvation: | -6.68018 |
Coulombic: | -63.1517 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 315.324 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 1.0 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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