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Chemical ID: 3993809
Chemical ID:
3993809
Name [?]:
2-chloro-N-[4-(4-tert-butylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2csc(n2)NC(=O)CCl
InChi [?]:
InChI=1/C15H17ClN2OS/c1-15(2,3)11-6-4-10(5-7-11)12-9-20-14(17-12)18-13(19)8-16/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,6,10,19,12,8,5,11,17,14,2,20,15,16,18,13/E:(1,2,3)(4,5)(6,7)/rA:20nCCCCCCCCCCCCSCNNCOCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17ClN2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7234 |
Area: | 509.053 |
Solvation: | -3.00293 |
Coulombic: | -27.3098 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.827 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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