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Chemical ID: 4679038
Chemical ID:
4679038
Name [?]:
4-chloro-N-(4-methyl-5-tert-butyl-thiazol-2-yl)-benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)c2ccc(cc2)Cl)C(C)(C)C
InChi [?]:
InChI=1/C15H17ClN2OS/c1-9-12(15(2,3)4)20-14(17-9)18-13(19)10-5-7-11(16)8-6-10/h5-8H,1-4H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,11,15,12,14,2,10,13,3,8,5,17,16,6,7,9,4/E:(2,3,4)(5,6)(7,8)/rA:20nCCCSCNNCOCCCCCCClCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17ClN2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1666 |
Area: | 501.304 |
Solvation: | -2.36604 |
Coulombic: | -28.2706 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.827 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.34 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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