Chemical ID: 5522282

c1ccc2c(c1)nc(s2)NC(=O)CSc3nc(cs3)c4ccc(cc4Cl)Cl
Chemical ID:
5522282
Name [?]:
N-benzothiazol-2-yl-2-[4-(2,4-dichlorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)CSc3nc(cs3)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C18H11Cl2N3OS3/c19-10-5-6-11(12(20)7-10)14-8-25-18(22-14)26-9-16(24)23-17-21-13-3-1-2-4-15(13)27-17/h1-8H,9H2,(H,21,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,21,24,18,13,23,20,25,5,17,4,11,8,15,27,26,7,16,10,12,19,14,9/rA:27nCCCCCCNCSNCOCSCNCCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11Cl2N3OS3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5041
Area:645.8
Solvation:-3.64094
Coulombic:-33.7909
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:452.403
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.86
LogP (Chemaxon):6.88

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