Chemical ID: 7143155

Cn1cc(c2c1cccc2)C=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC
Chemical ID:
7143155
Name [?]:
2-(2,4-dimethoxyphenyl)amino-5-[(1-methylindol-3-yl)methylene]thiazol-4-one
SMILES [?]:
Cn1cc(c2c1cccc2)C=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC
InChi [?]:
InChI=1/C21H19N3O3S/c1-24-12-13(15-6-4-5-7-17(15)24)10-19-20(25)23-21(28-19)22-16-9-8-14(26-2)11-18(16)27-3/h4-12H,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,28,26,9,8,10,7,21,20,11,23,3,4,22,5,19,6,24,12,13,16,18,15,2,14,27,25,17/rA:28nCNCCCCCCCCCCCONCSNCCCCCCOCOC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3O3S
All Atoms:47
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:10.4655
Area:602.94
Solvation:-4.60795
Coulombic:-49.4796
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.56
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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