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Chemical ID: 6391459
Chemical ID:
6391459
Name [?]:
N-[4-(2,4-dichlorophenyl)thiazol-2-yl]decanamide
SMILES [?]:
CCCCCCCCCC(=O)Nc1nc(cs1)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C19H24Cl2N2OS/c1-2-3-4-5-6-7-8-9-18(24)23-19-22-17(13-25-19)15-11-10-14(20)12-16(15)21/h10-13H,2-9H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,20,19,22,16,21,18,23,15,10,13,25,24,14,12,11,17/rA:25nCCCCCCCCCCONCNCCSCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24Cl2N2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.8814 |
Area: | 656.08 |
Solvation: | -2.52065 |
Coulombic: | -28.701 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 399.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.59 |
LogP (Chemaxon): | 7.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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