Chemical ID: 5849915

CN(C)c1ccc(cc1)NC(=O)CSc2ccccc2
Chemical ID:
5849915
Name [?]:
N-(4-dimethylaminophenyl)-2-phenylsulfanyl-acetamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)CSc2ccccc2
InChi [?]:
InChI=1/C16H18N2OS/c1-18(2)14-10-8-13(9-11-14)17-16(19)12-20-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,16,20,6,8,5,9,13,7,4,15,11,10,2,12,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:20nCNCCCCCCCNCOCSCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.31583
Area:501.029
Solvation:-3.20989
Coulombic:-27.7676
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.393
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.45
LogP (Chemaxon):3.73

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