Chemical ID: 6145814

c1ccc2c(c1)cccc2C=C3C(=O)N=C(S3)Nc4ccc(cc4)F
Chemical ID:
6145814
Name [?]:
2-(4-fluorophenyl)amino-5-(1-naphthylmethylene)thiazol-4-one
SMILES [?]:
c1ccc2c(c1)cccc2C=C3C(=O)N=C(S3)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C20H13FN2OS/c21-15-8-10-16(11-9-15)22-20-23-19(24)18(25-20)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,9,3,21,23,20,24,11,5,10,22,19,4,12,13,16,25,18,15,14,17/E:(8,9)(10,11)/rA:25nCCCCCCCCCCCCCONCSNCCCCCCF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13FN2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2405
Area:528.46
Solvation:-2.97096
Coulombic:-34.6754
Bond Count [?]
All:28
Single:17
Double:11
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:348.395
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.78
LogP (Chemaxon):5.35

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