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Chemical ID: 5917202
Chemical ID:
5917202
Name [?]:
N-benzyl-2-(butyl-(butylcarbamoyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCCNC(=O)N(CCCC)CC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C23H33N3O2S/c1-3-5-14-24-23(28)25(15-6-4-2)19-22(27)26(18-21-13-10-16-29-21)17-20-11-8-7-9-12-20/h7-13,16H,3-6,14-15,17-19H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,3,10,21,20,22,27,19,23,26,4,9,28,17,24,13,18,25,14,6,5,8,16,15,7,29/E:(8,9)(11,12)/rA:29nCCCCNCONCCCCCCONCCCCCCCCCCCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33N3O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5597 |
Area: | 688.385 |
Solvation: | -3.64996 |
Coulombic: | -50.3244 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 415.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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