ChemDB: Chemical Search
Download
Chemical ID: 4476047
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|