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Chemical ID: 4712503
Chemical ID:
4712503
Name [?]:
4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethylideneamino]thiazol-2-amine
SMILES [?]:
CC(=NNc1nc(cs1)c2ccc(cc2)Cl)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H16ClN3OS/c1-12(13-5-9-16(23-2)10-6-13)21-22-18-20-17(11-24-18)14-3-7-15(19)8-4-14/h3-11H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,11,15,18,22,12,14,19,21,8,2,17,10,13,20,7,5,16,6,3,4,23,9/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCNNCNCCSCCCCCCClCCCCCCOC/rB:s1;w2;s3;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s2;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClN3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2261 |
Area: | 587.777 |
Solvation: | -3.46836 |
Coulombic: | -25.5353 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.858 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.86 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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