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Chemical ID: 6876980
Chemical ID:
6876980
Name [?]:
2-(3-phenylpropylsulfanyl)-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSCCCc2ccccc2
InChi [?]:
InChI=1/C18H21NOS/c1-15-9-11-17(12-10-15)19-18(20)14-21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,14,17,21,15,3,7,4,6,13,11,2,16,5,9,8,10,12/E:(3,4)(6,7)(9,10)(11,12)/rA:21nCCCCCCCNCOCSCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NOS |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5587 |
Area: | 542.879 |
Solvation: | -3.01331 |
Coulombic: | -23.121 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 299.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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