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Chemical ID: 4693363
Chemical ID:
4693363
Name [?]:
1-(4-methyl-2-phenyl-thiazol-5-yl)ethylideneamino 4-chlorobenzoate
SMILES [?]:
Cc1c(sc(n1)c2ccccc2)C(=NOC(=O)c3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C19H15ClN2O2S/c1-12-17(25-18(21-12)14-6-4-3-5-7-14)13(2)22-24-19(23)15-8-10-16(20)11-9-15/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,10,9,11,8,12,19,23,20,22,2,13,7,18,21,3,5,16,24,6,14,17,15,4/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCSCNCCCCCCCNOCOCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s3;w13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9439 |
Area: | 568.442 |
Solvation: | -2.26711 |
Coulombic: | -24.6686 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.853 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.16 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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