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Chemical ID: 6219833
Chemical ID:
6219833
Name [?]:
4-isopropoxy-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
Cc1cc(c(c(c1)C)c2csc(n2)NC(=O)c3ccc(cc3)OC(C)C)C
InChi [?]:
InChI=1/C22H24N2O2S/c1-13(2)26-18-8-6-17(7-9-18)21(25)24-22-23-19(12-27-22)20-15(4)10-14(3)11-16(20)5/h6-13H,1-5H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:25,26,1,8,27,18,22,19,21,7,3,10,24,2,6,4,17,20,9,5,15,12,13,14,16,23,11/E:(1,2)(4,5)(6,7)(8,9)(10,11)(15,16)/rA:27nCCCCCCCCCCSCNNCOCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0438 |
Area: | 613.111 |
Solvation: | -3.28403 |
Coulombic: | -36.3439 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.94 |
LogP (Chemaxon): | 6.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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