Chemical ID: 5529554

Cc1csc(n1)SC(C)C(=O)Nc2nc(cs2)c3ccc(c(c3)Cl)Cl
Chemical ID:
5529554
Name [?]:
N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-2-(4-methylthiazol-2-yl)sulfanyl-propanamide
SMILES [?]:
Cc1csc(n1)SC(C)C(=O)Nc2nc(cs2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3OS3/c1-8-6-24-16(19-8)25-9(2)14(22)21-15-20-13(7-23-15)10-3-4-11(17)12(18)5-10/h3-7,9H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,9,19,20,23,3,16,2,8,18,21,22,15,10,13,5,25,24,6,14,12,11,17,4,7/rA:25cCCCSCNSCCCONCNCCSCCCCCCClCl/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s8;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2N3OS3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.2875
Area:623.227
Solvation:-3.29315
Coulombic:-33.1652
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:430.397
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.37
LogP (Chemaxon):5.81

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