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Chemical ID: 5609310
Chemical ID:
5609310
Name [?]:
2-chloro-N-[4-(4-isopropylphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C19H17ClN2OS/c1-12(2)13-7-9-14(10-8-13)17-11-24-19(21-17)22-18(23)15-5-3-4-6-16(15)20/h3-12H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,19,22,5,9,6,8,11,2,4,7,18,23,10,16,13,24,14,15,17,12/E:(1,2)(7,8)(9,10)/rA:24nCCCCCCCCCCCSCNNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6322 |
Area: | 565.874 |
Solvation: | -2.51467 |
Coulombic: | -30.0354 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.87 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.86 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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