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Chemical ID: 5915284
Chemical ID:
5915284
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-isopropyl-cyclobutanecarboxamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CCC3
InChi [?]:
InChI=1/C22H28N2O2S/c1-17(2)24(22(26)19-10-6-11-19)16-21(25)23(15-20-12-7-13-27-20)14-18-8-4-3-5-9-18/h3-5,7-9,12-13,17,19H,6,10-11,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,12,14,26,19,11,15,25,27,18,20,9,16,5,2,10,24,17,6,22,8,4,7,23,21/E:(1,2)(4,5)(8,9)(10,11)/rA:27nCCCNCCONCCCCCCCCCCCCSCOCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;s25;s24s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.925 |
Area: | 576.8 |
Solvation: | -3.49501 |
Coulombic: | -34.8579 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 384.536 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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