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Chemical ID: 6025068
Chemical ID:
6025068
Name [?]:
N-benzyl-2-[isobutyl-[2-(2-thienyl)acetyl]-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)Cc3cccs3
InChi [?]:
InChI=1/C25H30N2O2S2/c1-19(2)15-26(24(28)14-22-10-7-12-30-22)18-25(29)27(16-21-8-5-4-6-9-21)17-23-20(3)11-13-31-23/h4-13,19H,14-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,13,12,14,29,11,15,28,3,30,4,26,20,9,7,18,21,2,10,27,6,24,16,19,8,25,17,31,5/E:(1,2)(5,6)(8,9)/rA:31nCCCCSCCNCCCCCCCCOCNCCCCCOCCCCCS/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s21;s19;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: | 12.972 |
Area: | 687.846 |
Solvation: | -4.2242 |
Coulombic: | -35.5413 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 454.65 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.46 |
LogP (Chemaxon): | 4.54 |
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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