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Chemical ID: 6167923
Chemical ID:
6167923
Name [?]:
3-phenylsulfanyl-N-(p-tolyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CCSc2ccccc2
InChi [?]:
InChI=1/C16H17NOS/c1-13-7-9-14(10-8-13)17-16(18)11-12-19-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,3,7,4,6,11,12,2,5,14,9,8,10,13/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCNCOCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NOS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99544 |
Area: | 485.567 |
Solvation: | -2.14374 |
Coulombic: | -22.8341 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 271.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.03 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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