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Chemical ID: 5918055
Chemical ID:
5918055
Name [?]:
N-benzyl-2-(benzylcarbamoyl-propyl-amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)NCc3ccccc3
InChi [?]:
InChI=1/C25H29N3O2S/c1-2-15-27(25(30)26-17-21-10-5-3-6-11-21)20-24(29)28(19-23-14-9-16-31-23)18-22-12-7-4-8-13-22/h3-14,16H,2,15,17-20H2,1H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,2,29,13,28,30,12,14,19,27,31,11,15,18,3,20,25,9,16,5,26,10,17,6,22,24,4,8,7,23,21/E:(5,6)(7,8)(10,11)(12,13)/rA:31nCCCNCCONCCCCCCCCCCCCSCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29N3O2S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.592 |
Area: | 691.982 |
Solvation: | -3.70756 |
Coulombic: | -51.3245 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 435.583 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.78 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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