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Chemical ID: 6356526
Chemical ID:
6356526
Name [?]:
3-chloro-N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-propanamide
SMILES [?]:
c1cc(c(cc1c2csc(n2)NC(=O)CCCl)Cl)Cl
InChi [?]:
InChI=1/C12H9Cl3N2OS/c13-4-3-11(18)17-12-16-10(6-19-12)7-1-2-8(14)9(15)5-7/h1-2,5-6H,3-4H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,5,8,6,3,4,7,13,10,17,19,18,11,12,14,9/rA:19nCCCCCCCCSCNNCOCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9Cl3N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4726 |
Area: | 521.755 |
Solvation: | -2.57129 |
Coulombic: | -26.995 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 335.637 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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