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Chemical ID: 6010061
Chemical ID:
6010061
Name [?]:
N-(cyclohexylmethyl)-N-(isoxazol-3-ylcarbamoylmethyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)N(CC2CCCCC2)CC(=O)Nc3ccon3
InChi [?]:
InChI=1/C20H25N3O4/c1-26-17-9-7-16(8-10-17)20(25)23(13-15-5-3-2-4-6-15)14-19(24)21-18-11-12-27-22-18/h7-12,15H,2-6,13-14H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,5,7,4,8,24,25,12,19,13,6,3,23,20,9,22,27,11,21,10,2,26/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCOCCCCCCCONCCCCCCCCCONCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s11;s19;d20;s20;s22;s23;d24;s25;d23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18619 |
Area: | 582.091 |
Solvation: | -5.36609 |
Coulombic: | -48.8639 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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