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Chemical ID: 6002306
Chemical ID:
6002306
Name [?]:
N-(isoxazol-3-ylcarbamoylmethyl)-N-pentyl-4-phenyl-benzamide
SMILES [?]:
CCCCCN(CC(=O)Nc1ccon1)C(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C23H25N3O3/c1-2-3-7-15-26(17-22(27)24-21-14-16-29-25-21)23(28)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-14,16H,2-3,7,15,17H2,1H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,27,26,28,4,25,29,20,22,19,23,12,5,13,7,24,21,18,11,8,16,10,15,6,9,17,14/E:(5,6)(8,9)(10,11)(12,13)/rA:29nCCCCCNCCONCCCONCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d11s14;s6;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7392 |
Area: | 642.428 |
Solvation: | -4.32148 |
Coulombic: | -44.1761 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 391.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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