Chemical ID: 4411320

Cc1ccc(cc1Cl)C(=O)Nc2nc(cs2)c3ccccc3
Chemical ID:
4411320
Name [?]:
3-chloro-4-methyl-N-(4-phenylthiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)C(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C17H13ClN2OS/c1-11-7-8-13(9-14(11)18)16(21)20-17-19-15(10-22-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,3,4,6,15,2,17,5,7,14,9,12,8,13,11,10,16/E:(3,4)(5,6)/rA:22nCCCCCCCClCONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.9249
Area:525.81
Solvation:-2.2204
Coulombic:-29.9178
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.817
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.68
LogP (Chemaxon):5.43

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Descriptor Annotations

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