Chemical ID: 5299389

Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3cn(c4c3cccc4)C)S2
Chemical ID:
5299389
Name [?]:
2-(3,4-dimethylphenyl)imino-5-[(1-methylindol-3-yl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3cn(c4c3cccc4)C)S2
InChi [?]:
InChI=1/C21H19N3OS/c1-13-8-9-16(10-14(13)2)22-21-23-20(25)19(26-21)11-15-12-24(3)18-7-5-4-6-17(15)18/h4-12H,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,8,25,22,23,21,24,3,4,6,15,17,2,7,16,5,20,19,14,12,10,9,11,18,13,26/rA:26nCCCCCCCCNCNCOCCCCNCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s18;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7914
Area:571.273
Solvation:-2.49039
Coulombic:-34.9088
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:361.461
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.34
LogP (Chemaxon):5.93

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Descriptor Annotations

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