Chemical ID: 6589388

c1ccc(cc1)C(=O)OCC(=O)Nc2nc(cs2)c3ccc(cc3)F
Chemical ID:
6589388
Name [?]:
[4-(4-fluorophenyl)thiazol-2-yl]carbamoylmethyl benzoate
SMILES [?]:
c1ccc(cc1)C(=O)OCC(=O)Nc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H13FN2O3S/c19-14-8-6-12(7-9-14)15-11-25-18(20-15)21-16(22)10-24-17(23)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,20,24,21,23,10,17,19,4,22,16,11,7,14,25,15,13,12,8,9,18/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCCCCCCOOCCONCNCCSCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13FN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.67185
Area:568.731
Solvation:-4.54644
Coulombic:-51.3786
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.372
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.69
LogP (Chemaxon):4.16

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