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Chemical ID: 4305301
Chemical ID:
4305301
Name [?]:
N-[4-(3,4-dichlorophenyl)thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(cs1)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C12H10Cl2N2OS/c1-2-11(17)16-12-15-10(6-18-12)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,16,9,11,14,15,8,3,6,18,17,7,5,4,10/rA:18nCCCONCNCCSCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10Cl2N2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55138 |
Area: | 478.558 |
Solvation: | -2.41256 |
Coulombic: | -26.9071 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 301.192 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.61 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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