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Chemical ID: 6005133
Chemical ID:
6005133
Name [?]:
4-hexyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(3-morpholinopropyl)benzamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N(CCCN2CCOCC2)CC(=O)Nc3cc(on3)C
InChi [?]:
InChI=1/C26H38N4O4/c1-3-4-5-6-8-22-9-11-23(12-10-22)26(32)30(14-7-13-29-15-17-33-18-16-29)20-25(31)27-24-19-21(2)34-28-24/h9-12,19H,3-8,13-18,20H2,1-2H3,(H,27,28,31)
InChi Info:
AuxInfo=1/1/N:1,34,2,3,4,5,17,6,8,12,9,11,18,16,20,24,21,23,30,25,31,7,10,29,26,13,28,33,19,15,27,14,22,32/E:(9,10)(11,12)(15,16)(17,18)/rA:34nCCCCCCCCCCCCCONCCCNCCOCCCCONCCCONC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;s15;s25;d26;s26;s28;s29;d30;s31;d29s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H38N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5645 |
Area: | 775.014 |
Solvation: | -5.81086 |
Coulombic: | -55.7606 |
Bond Count [?]
All: | 36 |
Single: | 29 |
Double: | 7 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 470.604 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.58 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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