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Chemical ID: 6876995
Chemical ID:
6876995
Name [?]:
N-(4-ethylphenyl)-2-(3-phenylpropylsulfanyl)acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSCCCc2ccccc2
InChi [?]:
InChI=1/C19H23NOS/c1-2-16-10-12-18(13-11-16)20-19(21)15-22-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,15,18,22,16,4,8,5,7,14,12,3,17,6,10,9,11,13/E:(4,5)(7,8)(10,11)(12,13)/rA:22nCCCCCCCCNCOCSCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NOS |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2074 |
Area: | 568.029 |
Solvation: | -2.99332 |
Coulombic: | -23.4763 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 313.458 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.85 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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