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Chemical ID: 6243972
Chemical ID:
6243972
Name [?]:
N-(4,6-dichlorobenzothiazol-2-yl)benzothiazole-6-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)Nc3nc4c(s3)cc(cc4Cl)Cl)scn2
InChi [?]:
InChI=1/C15H7Cl2N3OS2/c16-8-4-9(17)13-12(5-8)23-15(19-13)20-14(21)7-1-2-10-11(3-7)22-6-18-10/h1-6H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,5,17,15,22,6,16,18,3,4,13,12,7,10,20,19,23,11,9,8,21,14/rA:23nCCCCCCCONCNCCSCCCCClClSCN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;s12;s10s13;d13;s15;d16;d12s17;s18;s16;s4;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H7Cl2N3OS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7976 |
Area: | 554.304 |
Solvation: | -3.06 |
Coulombic: | -32.5779 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 380.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.06 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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