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Chemical ID: 5915238
Chemical ID:
5915238
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-isopropyl-pentanamide
SMILES [?]:
CCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(C)C
InChi [?]:
InChI=1/C22H30N2O2S/c1-4-5-13-21(25)24(18(2)3)17-22(26)23(16-20-12-9-14-27-20)15-19-10-7-6-8-11-19/h6-12,14,18H,4-5,13,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,2,3,16,15,17,22,14,18,21,4,23,12,19,8,25,13,20,5,9,11,7,6,10,24/E:(2,3)(7,8)(10,11)/rA:27nCCCCCONCCONCCCCCCCCCCCCSCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s7;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7689 |
Area: | 616.812 |
Solvation: | -3.65141 |
Coulombic: | -35.0927 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 386.552 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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