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Chemical ID: 6342582
Chemical ID:
6342582
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(4-phenylthiazol-2-yl)-propanamide
SMILES [?]:
Cc1cc(ccc1OC(C)C(=O)Nc2nc(cs2)c3ccccc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-12-10-15(20)8-9-17(12)24-13(2)18(23)22-19-21-16(11-25-19)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,22,21,23,20,24,5,6,3,17,2,9,19,4,16,7,11,14,25,15,13,12,8,18/E:(4,5)(6,7)/rA:25cCCCCCCCOCCCONCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5222 |
Area: | 587.583 |
Solvation: | -4.16738 |
Coulombic: | -36.195 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.88 |
LogP (Chemaxon): | 5.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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