Chemical ID: 6910077

c1ccc(cc1)c2nc(sn2)NC(=O)c3ccc(cc3)Cl
Chemical ID:
6910077
Name [?]:
4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2nc(sn2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H10ClN3OS/c16-12-8-6-11(7-9-12)14(20)18-15-17-13(19-21-15)10-4-2-1-3-5-10/h1-9H,(H,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,4,15,18,7,13,9,21,8,12,11,14,10/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCNCSNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClN3OS
All Atoms:31
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.8302
Area:510.216
Solvation:-1.92523
Coulombic:-34.9161
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.778
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.99
LogP (Chemaxon):4.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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