Chemical ID: 4511266

c1ccc(cc1)NC(=O)Nc2nc3ccccc3s2
Chemical ID:
4511266
Name [?]:
3-benzothiazol-2-yl-1-phenyl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)Nc2nc3ccccc3s2
InChi [?]:
InChI=1/C14H11N3OS/c18-13(15-10-6-2-1-3-7-10)17-14-16-11-8-4-5-9-12(11)19-14/h1-9H,(H2,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,16,3,5,14,17,4,13,18,8,11,7,12,10,9,19/E:(2,3)(6,7)/rA:19nCCCCCCNCONCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N3OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.83813
Area:452.026
Solvation:-2.46253
Coulombic:-41.4095
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:269.323
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.39
LogP (Chemaxon):4.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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