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Chemical ID: 7142943
Chemical ID:
7142943
Name [?]:
2-(2,4-dimethoxyphenyl)amino-5-[(2,5-dimethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)N=C(S2)Nc3ccc(cc3OC)OC)OC
InChi [?]:
InChI=1/C20H20N2O5S/c1-24-13-6-8-16(26-3)12(9-13)10-18-19(23)22-20(28-18)21-15-7-5-14(25-2)11-17(15)27-4/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,28,24,19,4,18,5,8,9,21,7,3,20,17,6,22,10,11,14,16,13,12,2,25,27,23,15/rA:28nCOCCCCCCCCCONCSNCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;s6;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O5S |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.89409 |
Area: | 615.788 |
Solvation: | -6.50061 |
Coulombic: | -57.34 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.01 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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