Chemical ID: 4743597

CCC(C)c1ccc(cc1)NC(=O)CSc2ccccn2
Chemical ID:
4743597
Name [?]:
2-(2-pyridylsulfanyl)-N-(4-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)NC(=O)CSc2ccccn2
InChi [?]:
InChI=1/C17H20N2OS/c1-3-13(2)14-7-9-15(10-8-14)19-16(20)12-21-17-6-4-5-11-18-17/h4-11,13H,3,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,2,18,19,17,6,10,7,9,20,14,3,5,8,12,16,21,11,13,15/E:(7,8)(9,10)/rA:21cCCCCCCCCCCNCOCSCCCCCN/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.5198
Area:525.21
Solvation:-2.61048
Coulombic:-27.4769
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.42
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.05
LogP (Chemaxon):4.44

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