Chemical ID: 4658447

COc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3
Chemical ID:
4658447
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C17H14N2O2S/c1-21-14-9-7-12(8-10-14)15-11-22-17(18-15)19-16(20)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,5,7,4,8,10,6,17,3,9,15,12,13,14,16,2,11/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCOCCCCCCCCSCNNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.31415
Area:514.312
Solvation:-3.54365
Coulombic:-36.3265
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.371
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.74
LogP (Chemaxon):4.19

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Descriptor Annotations

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