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Chemical ID: 5916980
Chemical ID:
5916980
Name [?]:
N-benzyl-2-[butyl-[2-(2-thienyl)acetyl]-amino]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCCN(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C(=O)Cc3cccs3
InChi [?]:
InChI=1/C25H30N2O2S2/c1-3-4-14-26(24(28)16-22-11-8-15-30-22)19-25(29)27(17-21-9-6-5-7-10-21)18-23-13-12-20(2)31-23/h5-13,15H,3-4,14,16-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,3,14,13,15,29,12,16,28,20,19,4,30,26,10,17,6,21,11,27,18,24,7,5,9,25,8,31,22/E:(6,7)(9,10)/rA:31nCCCCNCCONCCCCCCCCCCCCSCCOCCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s21;s5;d24;s24;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O2S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3892 |
Area: | 721.098 |
Solvation: | -4.63821 |
Coulombic: | -35.1382 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 454.65 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.44 |
LogP (Chemaxon): | 4.06 |
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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