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Chemical ID: 5449995
Chemical ID:
5449995
Name [?]:
4-chloro-N-[4-(4-propoxyphenyl)thiazol-2-yl]-butanamide
SMILES [?]:
CCCOc1ccc(cc1)c2csc(n2)NC(=O)CCCCl
InChi [?]:
InChI=1/C16H19ClN2O2S/c1-2-10-21-13-7-5-12(6-8-13)14-11-22-16(18-14)19-15(20)4-3-9-17/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,7,9,6,10,21,3,12,8,5,11,17,14,22,15,16,18,4,13/E:(5,6)(7,8)/rA:22nCCCOCCCCCCCCSCNNCOCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19ClN2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.302 |
Area: | 575.284 |
Solvation: | -4.08006 |
Coulombic: | -33.8347 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 338.853 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.76 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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