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Chemical ID: 6167921
Chemical ID:
6167921
Name [?]:
N-(3,4-dimethylphenyl)-3-phenylsulfanyl-propanamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CCSc2ccccc2
InChi [?]:
InChI=1/C17H19NOS/c1-13-8-9-15(12-14(13)2)18-17(19)10-11-20-16-6-4-3-5-7-16/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,18,17,19,16,20,3,4,12,13,6,2,7,5,15,10,9,11,14/E:(4,5)(6,7)/rA:20nCCCCCCCCNCOCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4907 |
Area: | 505.876 |
Solvation: | -2.15616 |
Coulombic: | -22.6112 |
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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