Chemical ID: 5914494

CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)CC(C)C
Chemical ID:
5914494
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-butyl-3-methyl-butanamide
SMILES [?]:
CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)CC(C)C
InChi [?]:
InChI=1/C23H32N2O2S/c1-4-5-13-24(22(26)15-19(2)3)18-23(27)25(17-21-12-9-14-28-21)16-20-10-7-6-8-11-20/h6-12,14,19H,4-5,13,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,3,14,13,15,20,12,16,19,4,21,25,10,17,6,26,11,18,23,7,5,9,24,8,22/E:(2,3)(7,8)(10,11)/rA:28nCCCCNCCONCCCCCCCCCCCCSCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s5;d23;s23;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.8155
Area:654.554
Solvation:-3.54837
Coulombic:-35.8508
Bond Count [?]
All:29
Single:22
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:400.578
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.33
LogP (Chemaxon):4.16

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Descriptor Annotations

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