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Chemical ID: 7272812
Chemical ID:
7272812
Name [?]:
N-(2-ethoxyphenyl)-4-(methylsulfanylmethyl)benzamide
SMILES [?]:
CCOc1ccccc1NC(=O)c2ccc(cc2)CSC
InChi [?]:
InChI=1/C17H19NO2S/c1-3-20-16-7-5-4-6-15(16)18-17(19)14-10-8-13(9-11-14)12-21-2/h4-11H,3,12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,2,7,6,8,5,15,17,14,18,19,16,13,9,4,11,10,12,3,20/E:(8,9)(10,11)/rA:21nCCOCCCCCCNCOCCCCCCCSC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2S |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1696 |
Area: | 525.909 |
Solvation: | -2.97811 |
Coulombic: | -32.381 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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