Chemical ID: 5915284

CC(C)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CCC3
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

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Descriptor Annotations

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