Chemical ID: 4476047

c1ccc2c(c1)nc(s2)NC(=O)Nc3ccc(cc3F)F
Chemical ID:
4476047
Name [?]:
1-benzothiazol-2-yl-3-(2,4-difluorophenyl)-urea
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)Nc3ccc(cc3F)F
InChi [?]:
InChI=1/C14H9F2N3OS/c15-8-5-6-10(9(16)7-8)17-13(20)19-14-18-11-3-1-2-4-12(11)21-14/h1-7H,(H2,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,15,18,17,19,14,5,4,11,8,21,20,13,7,10,12,9/rA:21nCCCCCCNCSNCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9F2N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.18172
Area:460.11
Solvation:-3.32104
Coulombic:-48.1307
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.304
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):4.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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