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Chemical ID: 6283387
Chemical ID:
6283387
Name [?]:
N-(4-chloro-3-methyl-benzothiazol-2-ylidene)-3-methoxy-benzamide
SMILES [?]:
Cn1c2c(cccc2Cl)sc1=NC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C16H13ClN2O2S/c1-19-14-12(17)7-4-8-13(14)22-16(19)18-15(20)10-5-3-6-11(9-10)21-2/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,17,6,16,18,7,5,20,15,19,8,4,3,13,11,9,12,2,14,21,10/rA:22nCNCCCCCCClSCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s4;s2s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66094 |
Area: | 500.132 |
Solvation: | -2.84236 |
Coulombic: | -33.0175 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.805 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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