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Chemical ID: 6283889
Chemical ID:
6283889
Name [?]:
2-chloro-N-(3-ethyl-6-methyl-benzothiazol-2-ylidene)-benzamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)c3ccccc3Cl)C
InChi [?]:
InChI=1/C17H15ClN2OS/c1-3-20-14-9-8-11(2)10-15(14)22-17(20)19-16(21)12-6-4-5-7-13(12)18/h4-10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,17,18,16,19,6,5,8,7,15,20,4,9,13,11,21,12,3,14,10/rA:22nCCNCCCCCCSCNCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClN2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5986 |
Area: | 489.676 |
Solvation: | -1.64334 |
Coulombic: | -26.1521 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.833 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.33 |
LogP (Chemaxon): | 5.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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