Chemical ID: 7255814

CC(=O)Nc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(c(c3)F)F
Chemical ID:
7255814
Name [?]:
4-acetamido-N-[4-(3,4-difluorophenyl)thiazol-2-yl]-benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(c(c3)F)F
InChi [?]:
InChI=1/C18H13F2N3O2S/c1-10(24)21-13-5-2-11(3-6-13)17(25)23-18-22-16(9-26-18)12-4-7-14(19)15(20)8-12/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,7,9,20,6,10,21,24,17,2,8,19,5,22,23,16,11,14,26,25,4,15,13,3,12,18/E:(2,3)(5,6)/rA:26nCCONCCCCCCCONCNCCSCCCCCCFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13F2N3O2S
All Atoms:39
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.59266
Area:564.203
Solvation:-5.51242
Coulombic:-53.3931
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.378
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.4
LogP (Chemaxon):4.05

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Descriptor Annotations

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