Chemical ID: 7374492

COc1ccccc1CNc2nc(cs2)c3ccc(c(c3)F)F
Chemical ID:
7374492
Name [?]:
4-(3,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]thiazol-2-amine
SMILES [?]:
COc1ccccc1CNc2nc(cs2)c3ccc(c(c3)F)F
InChi [?]:
InChI=1/C17H14F2N2OS/c1-22-16-5-3-2-4-12(16)9-20-17-21-15(10-23-17)11-6-7-13(18)14(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,17,18,21,9,14,16,8,19,20,13,3,11,23,22,10,12,2,15/rA:23nCOCCCCCCCNCNCCSCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F2N2OS
All Atoms:37
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.24066
Area:520.462
Solvation:-4.7709
Coulombic:-33.8964
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.369
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.45
LogP (Chemaxon):4.77

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Descriptor Annotations

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