Chemical ID: 4640287

COc1ccc(cc1OC)c2nnc(s2)NC(=O)c3cccc(c3)F
Chemical ID:
4640287
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-benzamide
SMILES [?]:
COc1ccc(cc1OC)c2nnc(s2)NC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C17H14FN3O3S/c1-23-13-7-6-11(9-14(13)24-2)16-20-21-17(25-16)19-15(22)10-4-3-5-12(18)8-10/h3-9H,1-2H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,21,20,22,5,4,24,7,19,6,23,3,8,17,11,14,25,16,12,13,18,2,9,15/rA:25nCOCCCCCCOCCNNCSNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;d13;s11s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14FN3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.91478
Area:560.264
Solvation:-7.09181
Coulombic:-43.2019
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:359.376
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.9
LogP (Chemaxon):2.95

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