Chemical ID: 6335764

Cc1ccc(cc1)NC(=O)CSc2c(cc3c(n2)CCCC3)C#N
Chemical ID:
6335764
Name [?]:
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2c(cc3c(n2)CCCC3)C#N
InChi [?]:
InChI=1/C19H19N3OS/c1-13-6-8-16(9-7-13)21-18(23)12-24-19-15(11-20)10-14-4-2-3-5-17(14)22-19/h6-10H,2-5,12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,3,7,4,6,15,23,11,2,16,14,5,17,9,13,24,8,18,10,12/E:(6,7)(8,9)/rA:24nCCCCCCCNCOCSCCCCCNCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s20;s16s21;s14;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9323
Area:558.17
Solvation:-3.02192
Coulombic:-29.4871
Bond Count [?]
All:26
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.44
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.15
LogP (Chemaxon):4.29

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Descriptor Annotations

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