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Chemical ID: 5931510
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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