Chemical ID: 7141261

CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
Chemical ID:
7141261
Name [?]:
2-(4-butylphenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C24H22N2OS/c1-2-3-7-17-12-14-20(15-13-17)25-24-26-23(27)22(28-24)16-19-10-6-9-18-8-4-5-11-21(18)19/h4-6,8-16H,2-3,7H2,1H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,26,25,20,4,27,21,19,24,6,10,7,9,17,5,22,18,8,23,16,14,12,11,13,15,28/E:(12,13)(14,15)/rA:28nCCCCCCCCCCNCNCOCCCCCCCCCCCCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22N2OS
All Atoms:50
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.292
Area:618.254
Solvation:-2.16435
Coulombic:-32.1477
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:386.51
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.4
LogP (Chemaxon):7.01

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