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Chemical ID: 5529554
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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