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Chemical ID: 4658447
Chemical ID:
4658447
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C17H14N2O2S/c1-21-14-9-7-12(8-10-14)15-11-22-17(18-15)19-16(20)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,5,7,4,8,10,6,17,3,9,15,12,13,14,16,2,11/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCOCCCCCCCCSCNNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31415 |
Area: | 514.312 |
Solvation: | -3.54365 |
Coulombic: | -36.3265 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.371 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.74 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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