Chemical ID: 6027108

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)NC(C)(C)C
Chemical ID:
6027108
Name [?]:
N-benzyl-2-(isopropyl-(tert-butylcarbamoyl)amino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C23H33N3O2S/c1-17(2)26(22(28)24-23(4,5)6)16-21(27)25(14-19-10-8-7-9-11-19)15-20-18(3)12-13-29-20/h7-13,17H,14-16H2,1-6H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:21,22,1,27,28,29,13,12,14,11,15,3,4,9,7,18,20,2,10,6,16,23,26,25,8,19,17,24,5/E:(1,2)(4,5,6)(8,9)(10,11)/rA:29nCCCCSCCNCCCCCCCCOCNCCCCONCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s20;s19;d23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.1813
Area:625.607
Solvation:-3.45892
Coulombic:-49.1299
Bond Count [?]
All:30
Single:23
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:415.593
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):3.63

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Descriptor Annotations

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