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Chemical ID: 4603596
Chemical ID:
4603596
Name [?]:
4-(4-methoxyphenyl)-N-[1-(2-naphthyl)ethylideneamino]thiazol-2-amine
SMILES [?]:
CC(=NNc1nc(cs1)c2ccc(cc2)OC)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C22H19N3OS/c1-15(18-8-7-16-5-3-4-6-19(16)13-18)24-25-22-23-21(14-27-22)17-9-11-20(26-2)12-10-17/h3-14H,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,23,24,22,25,20,19,11,15,12,14,27,8,2,21,10,18,26,13,7,5,6,3,4,16,9/E:(9,10)(11,12)/rA:27nCCNNCNCCSCCCCCCOCCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s16;s2;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19N3OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5787 |
Area: | 611.888 |
Solvation: | -3.7185 |
Coulombic: | -26.0282 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.472 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.5 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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