Chemical ID: 4679038

Cc1c(sc(n1)NC(=O)c2ccc(cc2)Cl)C(C)(C)C
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

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Descriptor Annotations

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