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Chemical ID: 5916525
Chemical ID:
5916525
Name [?]:
N-allyl-N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC=C)CC(=O)N(Cc2ccccc2)Cc3ccc(s3)C
InChi [?]:
InChI=1/C26H28N2O2S/c1-4-16-27(26(30)23-13-10-20(2)11-14-23)19-25(29)28(17-22-8-6-5-7-9-22)18-24-15-12-21(3)31-24/h4-15H,1,16-19H2,2-3H3
InChi Info:
AuxInfo=1/0/N:13,1,31,12,22,21,23,20,24,3,7,28,4,6,27,11,18,25,14,2,29,19,5,26,15,8,10,17,16,9,30/E:(6,7)(8,9)(10,11)(13,14)/rA:31nCCCCCCCCONCCCCCONCCCCCCCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s10;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s17;s25;d26;s27;d28;s26s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O2S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0661 |
Area: | 637.11 |
Solvation: | -3.86161 |
Coulombic: | -38.4946 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 432.579 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.53 |
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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