Chemical ID: 7529850

COc1ccc2c(c1)sc(n2)NC(=O)c3ccc(c(c3)Cl)OC
Chemical ID:
7529850
Name [?]:
3-chloro-4-methoxy-N-(6-methoxybenzothiazol-2-yl)-benzamide
SMILES [?]:
COc1ccc2c(c1)sc(n2)NC(=O)c3ccc(c(c3)Cl)OC
InChi [?]:
InChI=1/C16H13ClN2O3S/c1-21-10-4-5-12-14(8-10)23-16(18-12)19-15(20)9-3-6-13(22-2)11(17)7-9/h3-8H,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,16,4,5,17,20,8,15,3,19,6,18,7,13,10,21,11,12,14,2,22,9/rA:23nCOCCCCCCSCNNCOCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s18;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2O3S
All Atoms:36
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:8.32712
Area:542.577
Solvation:-5.2373
Coulombic:-41.0917
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.35
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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