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Chemical ID: 6007687
Chemical ID:
6007687
Name [?]:
N-(isoxazol-3-ylcarbamoylmethyl)-4-pentyl-N-propyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)Nc2ccon2
InChi [?]:
InChI=1/C20H27N3O3/c1-3-5-6-7-16-8-10-17(11-9-16)20(25)23(13-4-2)15-19(24)21-18-12-14-26-22-18/h8-12,14H,3-7,13,15H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,3,4,5,7,11,8,10,23,15,24,18,6,9,22,19,12,21,26,14,20,13,25/E:(8,9)(10,11)/rA:26nCCCCCCCCCCCCONCCCCCONCCCON/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s14;s18;d19;s19;s21;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3959 |
Area: | 614.387 |
Solvation: | -3.96379 |
Coulombic: | -43.2161 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 357.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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