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Chemical ID: 6856479
Chemical ID:
6856479
Name [?]:
3-(3-chlorophenyl)-N-[4-(2-chlorophenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
c1ccc(c(c1)c2csc(n2)NC(=O)C=Cc3cccc(c3)Cl)Cl
InChi [?]:
InChI=1/C18H12Cl2N2OS/c19-13-5-3-4-12(10-13)8-9-17(23)22-18-21-16(11-24-18)14-6-1-2-7-15(14)20/h1-11H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,6,3,16,15,22,8,17,21,5,4,7,13,10,23,24,11,12,14,9/rA:24nCCCCCCCCSCNNCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s7d10;s10;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12Cl2N2OS |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0769 |
Area: | 554.752 |
Solvation: | -2.79189 |
Coulombic: | -29.6223 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.35 |
LogP (Chemaxon): | 6.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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