Chemical ID: 3993809

CC(C)(C)c1ccc(cc1)c2csc(n2)NC(=O)CCl
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

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