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Chemical ID: 4698990
Chemical ID:
4698990
Name [?]:
1-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]ethylideneamino 4-chlorobenzoate
SMILES [?]:
Cc1c(sc(n1)c2ccc(cc2)Cl)C(=NOC(=O)c3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C19H14Cl2N2O2S/c1-11-17(26-18(22-11)13-3-7-15(20)8-4-13)12(2)23-25-19(24)14-5-9-16(21)10-6-14/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,8,12,20,24,9,11,21,23,2,14,7,19,10,22,3,5,17,13,25,6,15,18,16,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCSCNCCCCCCClCNOCOCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s10;s3;w14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14Cl2N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8219 |
Area: | 604.118 |
Solvation: | -2.28106 |
Coulombic: | -24.6809 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 405.298 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.78 |
LogP (Chemaxon): | 5.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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