Chemical ID: 5931510

CCCCCNC(=O)C1CSC(N1C(=O)C(C)C)c2ccccc2
Chemical ID:
5931510
Name [?]:
3-(2-methylpropanoyl)-N-pentyl-2-phenyl-thiazolidine-4-carboxamide
SMILES [?]:
CCCCCNC(=O)C1CSC(N1C(=O)C(C)C)c2ccccc2
InChi [?]:
InChI=1/C19H28N2O2S/c1-4-5-9-12-20-17(22)16-13-24-19(15-10-7-6-8-11-15)21(16)18(23)14(2)3/h6-8,10-11,14,16,19H,4-5,9,12-13H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,3,22,21,23,4,20,24,5,10,16,19,9,7,14,12,6,13,8,15,11/E:(2,3)(7,8)(10,11)/rA:24cCCCCCNCOCCSCNCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s16;s16;s12;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.9407
Area:574.187
Solvation:-3.41399
Coulombic:-40.4093
Bond Count [?]
All:25
Single:20
Double:5
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:348.504
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.81
LogP (Chemaxon):3.68

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