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Chemical ID: 4239925
Chemical ID:
4239925
Name [?]:
N-(m-tolyl)-3-(p-tolylsulfanyl)propanamide
SMILES [?]:
Cc1ccc(cc1)SCCC(=O)Nc2cccc(c2)C
InChi [?]:
InChI=1/C17H19NOS/c1-13-6-8-16(9-7-13)20-11-10-17(19)18-15-5-3-4-14(2)12-15/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,16,17,15,3,7,4,6,10,9,19,2,18,14,5,11,13,12,8/E:(6,7)(8,9)/rA:20nCCCCCCCSCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5424 |
Area: | 508.647 |
Solvation: | -2.17382 |
Coulombic: | -22.5724 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.405 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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