Chemical ID: 5465586

COc1ccccc1C(=O)Nc2ncc(s2)Cc3ccccc3Cl
Chemical ID:
5465586
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2ncc(s2)Cc3ccccc3Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-23-16-9-5-3-7-14(16)17(22)21-18-20-11-13(24-18)10-12-6-2-4-8-15(12)19/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,6,21,5,19,7,22,4,17,14,18,15,8,23,3,9,12,24,13,11,10,2,16/rA:24nCOCCCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.76231
Area:551.286
Solvation:-5.01983
Coulombic:-34.3894
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.843
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.48
LogP (Chemaxon):4.31

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