Chemical ID: 6618858

Cc1ccc(cc1)c2csc(n2)NC(=O)COC(=O)c3ccc(cc3)F
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

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