Chemical ID: 4866200

c1cc(cc(c1)Br)NC2=NC(=O)C(=Cc3cccnc3)S2
Chemical ID:
4866200
Name [?]:
2-(3-bromophenyl)amino-5-(3-pyridylmethylene)thiazol-4-one
SMILES [?]:
c1cc(cc(c1)Br)NC2=NC(=O)C(=Cc3cccnc3)S2
InChi [?]:
InChI=1/C15H10BrN3OS/c16-11-4-1-5-12(8-11)18-15-19-14(20)13(21-15)7-10-3-2-6-17-9-10/h1-9H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,16,6,2,18,14,4,20,15,5,3,13,11,9,7,19,8,10,12,21/rA:21nCCCCCCBrNCNCOCCCCCCNCS/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrN3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.85846
Area:492.853
Solvation:-2.46287
Coulombic:-33.7011
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:360.23
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.9
LogP (Chemaxon):3.68

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