Chemical ID: 7141262

COc1ccccc1N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
Chemical ID:
7141262
Name [?]:
2-(2-methoxyphenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
COc1ccccc1N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C21H16N2O2S/c1-25-18-12-5-4-11-17(18)22-21-23-20(24)19(26-21)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-13H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,6,5,18,25,19,17,22,7,4,15,20,16,21,8,3,14,12,10,9,11,13,2,26/rA:26nCOCCCCCCNCNCOCCCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O2S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.95074
Area:551.871
Solvation:-3.84603
Coulombic:-37.9303
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:360.43
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):5.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue