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Chemical ID: 7143319
Chemical ID:
7143319
Name [?]:
2-(2,4-dimethoxyphenyl)amino-5-[(4-dimethylaminophenyl)methylene]thiazol-4-one
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C20H21N3O3S/c1-23(2)14-7-5-13(6-8-14)11-18-19(24)22-20(27-18)21-16-10-9-15(25-3)12-17(16)26-4/h5-12H,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,27,25,6,8,5,9,20,19,10,22,7,4,21,18,23,11,12,15,17,14,2,13,26,24,16/E:(1,2)(5,6)(7,8)/rA:27nCNCCCCCCCCCCONCSNCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3S |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7135 |
Area: | 606.775 |
Solvation: | -4.45588 |
Coulombic: | -50.1211 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.39 |
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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