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Chemical ID: 6618858
Chemical ID:
6618858
Name [?]:
[4-(p-tolyl)thiazol-2-yl]carbamoylmethyl 4-fluorobenzoate
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)COC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H15FN2O3S/c1-12-2-4-13(5-3-12)16-11-26-19(21-16)22-17(23)10-25-18(24)14-6-8-15(20)9-7-14/h2-9,11H,10H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,21,25,22,24,16,9,2,5,20,23,8,14,18,11,26,12,13,15,19,17,10/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCCCSCNNCOCOCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0684 |
Area: | 587.756 |
Solvation: | -4.62549 |
Coulombic: | -50.8979 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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