Chemical ID: 5469364

c1ccc(c(c1)c2ccc(o2)C(=O)Nc3nc4c(s3)CCCC4)F
Chemical ID:
5469364
Name [?]:
5-(2-fluorophenyl)-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3nc4c(s3)CCCC4)F
InChi [?]:
InChI=1/C18H15FN2O2S/c19-12-6-2-1-5-11(12)14-9-10-15(23-14)17(22)21-18-20-13-7-3-4-8-16(13)24-18/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,6,3,23,20,8,9,5,4,17,7,10,18,12,15,24,16,14,13,11,19/rA:24nCCCCCCCCCCOCONCNCCSCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;s17s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.56719
Area:534.318
Solvation:-3.79075
Coulombic:-39.995
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.388
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.95
LogP (Chemaxon):3.66

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Descriptor Annotations

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