Chemical ID: 6167923

Cc1ccc(cc1)NC(=O)CCSc2ccccc2
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

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Descriptor Annotations

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