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Chemical ID: 7529850
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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