Chemical ID: 6266713

COc1cccc(c1)c2csc(n2)NC(=O)c3ccc(cc3)C#N
Chemical ID:
6266713
Name [?]:
4-cyano-N-[4-(3-methoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1cccc(c1)c2csc(n2)NC(=O)c3ccc(cc3)C#N
InChi [?]:
InChI=1/C18H13N3O2S/c1-23-15-4-2-3-14(9-15)16-11-24-18(20-16)21-17(22)13-7-5-12(10-19)6-8-13/h2-9,11H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,19,21,18,22,8,23,10,20,17,7,3,9,15,12,24,13,14,16,2,11/E:(5,6)(7,8)/rA:24nCOCCCCCCCCSCNNCOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.83159
Area:559.344
Solvation:-4.15202
Coulombic:-38.6653
Bond Count [?]
All:26
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.381
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.47
LogP (Chemaxon):4.01

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