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Chemical ID: 5916570
Chemical ID:
5916570
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclohexyl-propanamide
SMILES [?]:
CCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C3CCCCC3
InChi [?]:
InChI=1/C24H32N2O2S/c1-3-23(27)26(21-12-8-5-9-13-21)18-24(28)25(16-20-10-6-4-7-11-20)17-22-19(2)14-15-29-22/h4,6-7,10-11,14-15,21H,3,5,8-9,12-13,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,14,27,13,15,26,28,12,16,25,29,20,21,10,17,6,19,11,24,18,3,7,9,5,4,8,22/E:(6,7)(8,9)(10,11)(12,13)/rA:29nCCCONCCONCCCCCCCCCCCCSCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s19;s5;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9345 |
Area: | 616.898 |
Solvation: | -3.48795 |
Coulombic: | -34.8191 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 412.589 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.28 |
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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