Chemical ID: 6243972

c1cc2c(cc1C(=O)Nc3nc4c(s3)cc(cc4Cl)Cl)scn2
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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