Chemical ID: 6025110

CCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(C)C
Chemical ID:
6025110
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-butanamide
SMILES [?]:
CCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(C)C
InChi [?]:
InChI=1/C22H30N2O2S/c1-5-9-21(25)24(17(2)3)16-22(26)23(14-19-10-7-6-8-11-19)15-20-18(4)12-13-27-20/h6-8,10-13,17H,5,9,14-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,27,24,2,15,14,16,3,13,17,21,22,11,18,7,25,20,12,19,4,8,10,6,5,9,23/E:(2,3)(7,8)(10,11)/rA:27nCCCCONCCONCCCCCCCCCCCCSCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s20;d21;s19s22;s20;s6;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3298
Area:599.558
Solvation:-3.65913
Coulombic:-34.6062
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.552
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.5
LogP (Chemaxon):3.85

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Descriptor Annotations

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