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Chemical ID: 6019697
Chemical ID:
6019697
Name [?]:
N-benzyl-2-cyclohexylamino-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CNC3CCCCC3
InChi [?]:
InChI=1/C21H28N2OS/c1-17-12-13-25-20(17)16-23(15-18-8-4-2-5-9-18)21(24)14-22-19-10-6-3-7-11-19/h2,4-5,8-9,12-13,19,22H,3,6-7,10-11,14-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,23,12,14,22,24,11,15,21,25,3,4,18,9,7,2,10,20,6,16,19,8,17,5/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCSCCNCCCCCCCCOCNCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3795 |
Area: | 565.355 |
Solvation: | -2.75442 |
Coulombic: | -28.2419 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.526 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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