Chemical ID: 5784867

CSc1nc2ccc(cc2s1)NC(=O)CSc3[nH]c4ccccc4n3
Chemical ID:
5784867
Name [?]:
2-(1H-benzoimidazol-2-ylsulfanyl)-N-(2-methylsulfanylbenzothiazol-6-yl)-acetamide
SMILES [?]:
CSc1nc2ccc(cc2s1)NC(=O)CSc3[nH]c4ccccc4n3
InChi [?]:
InChI=1/C17H14N4OS3/c1-23-17-21-13-7-6-10(8-14(13)25-17)18-15(22)9-24-16-19-11-4-2-3-5-12(11)20-16/h2-8H,9H2,1H3,(H,18,22)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,7,6,9,15,8,19,24,5,10,13,17,3,12,18,25,4,14,2,16,11/E:(2,3)(4,5)(11,12)(19,20)/rA:25nCSCNCCCCCCSNCOCSCNCCCCCCN/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s8;s12;d13;s13;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;d17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4OS3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.0482
Area:596.66
Solvation:-2.86827
Coulombic:-44.8246
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.517
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.83
LogP (Chemaxon):5.56

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Descriptor Annotations

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