Chemical ID: 7143957

Cn1c2ccccc2cc1C=C3C(=O)N=C(S3)Nc4ccc(cc4)Br
Chemical ID:
7143957
Name [?]:
2-(4-bromophenyl)amino-5-[(1-methylindol-2-yl)methylene]thiazol-4-one
SMILES [?]:
Cn1c2ccccc2cc1C=C3C(=O)N=C(S3)Nc4ccc(cc4)Br
InChi [?]:
InChI=1/C19H14BrN3OS/c1-23-15(10-12-4-2-3-5-16(12)23)11-17-18(24)22-19(25-17)21-14-8-6-13(20)7-9-14/h2-11H,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,21,23,20,24,9,11,8,22,19,10,3,12,13,16,25,18,15,2,14,17/E:(6,7)(8,9)/rA:25nCNCCCCCCCCCCCONCSNCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14BrN3OS
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1767
Area:550.244
Solvation:-2.5794
Coulombic:-35.0917
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:412.304
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.62
LogP (Chemaxon):5.41

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