Chemical ID: 7005225

c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3cc(ccc3Cl)Cl)Cl
Chemical ID:
7005225
Name [?]:
2,5-dichloro-N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3cc(ccc3Cl)Cl)Cl
InChi [?]:
InChI=1/C17H11Cl3N2OS/c18-11-5-6-15(20)13(8-11)16(23)22-17-21-9-12(24-17)7-10-3-1-2-4-14(10)19/h1-6,8-9H,7H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,20,7,17,9,5,18,8,16,4,21,14,11,23,24,22,10,13,15,12/rA:24nCCCCCCCCCNCSNCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11Cl3N2OS
All Atoms:35
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.1543
Area:576.363
Solvation:-3.25479
Coulombic:-28.3087
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:397.706
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.81
LogP (Chemaxon):5.6

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