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Chemical ID: 4751275
Chemical ID:
4751275
Name [?]:
N-[4-(3-chloro-4-methyl-phenyl)-5-methyl-thiazol-2-yl]-4-methoxy-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)c2c(sc(n2)NC(=O)c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-11-4-5-14(10-16(11)20)17-12(2)25-19(21-17)22-18(23)13-6-8-15(24-3)9-7-13/h4-10H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,3,4,18,22,19,21,6,2,10,17,5,20,7,9,15,12,8,13,14,16,23,11/E:(6,7)(8,9)/rA:25nCCCCCCCClCCSCNNCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1159 |
Area: | 580.734 |
Solvation: | -3.40248 |
Coulombic: | -36.3131 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.44 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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