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Chemical ID: 7141262
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
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Experimental Annotations
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Descriptor Annotations
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