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Chemical ID: 6264916
Chemical ID:
6264916
Name [?]:
4-isopropoxy-N-(5-methyl-4-phenyl-thiazol-2-yl)-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)OC(C)C)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S/c1-13(2)24-17-11-9-16(10-12-17)19(23)22-20-21-18(14(3)25-20)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:18,19,1,23,22,24,21,25,11,15,12,14,17,2,20,10,13,3,8,5,4,7,9,16,6/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:25nCCCNCSNCOCCCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;s3;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2525 |
Area: | 579.153 |
Solvation: | -3.2263 |
Coulombic: | -37.0197 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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