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Chemical ID: 6004999
Chemical ID:
6004999
Name [?]:
4-methyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(2-morpholinoethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)Nc3cc(on3)C
InChi [?]:
InChI=1/C20H26N4O4/c1-15-3-5-17(6-4-15)20(26)24(8-7-23-9-11-27-12-10-23)14-19(25)21-18-13-16(2)28-22-18/h3-6,13H,7-12,14H2,1-2H3,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,28,3,7,4,6,12,11,14,18,15,17,24,19,2,25,5,23,20,8,22,27,13,10,21,9,16,26/E:(3,4)(5,6)(9,10)(11,12)/rA:28nCCCCCCCCONCCNCCOCCCCONCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s10;s19;d20;s20;s22;s23;d24;s25;d23s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N4O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73032 |
Area: | 617.515 |
Solvation: | -5.70756 |
Coulombic: | -54.0774 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 386.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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