Chemical ID: 6720532

CC(=O)Nc1ccc(cc1)NC(=O)CCSc2ccccc2
Chemical ID:
6720532
Name [?]:
N-(4-acetamidophenyl)-3-phenylsulfanyl-propanamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)CCSc2ccccc2
InChi [?]:
InChI=1/C17H18N2O2S/c1-13(20)18-14-7-9-15(10-8-14)19-17(21)11-12-22-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,6,10,7,9,14,15,2,5,8,17,12,4,11,3,13,16/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCONCCCCCCNCOCCSCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.96494
Area:541.378
Solvation:-3.56951
Coulombic:-40.492
Bond Count [?]
All:23
Single:15
Double:8
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.403
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.43
LogP (Chemaxon):3.18

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