Chemical ID: 6767125

Cc1ccc(c(c1)Br)NC(=O)c2c(c3c(s2)ncn(c3=O)Cc4ccccc4F)C
Chemical ID:
6767125
Name [?]:
N-(2-bromo-4-methyl-phenyl)-3-[(2-fluorophenyl)methyl]-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2c(c3c(s2)ncn(c3=O)Cc4ccccc4F)C
InChi [?]:
InChI=1/C22H17BrFN3O2S/c1-12-7-8-17(15(23)9-12)26-20(28)19-13(2)18-21(30-19)25-11-27(22(18)29)10-14-5-3-4-6-16(14)24/h3-9,11H,10H2,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,25,26,24,27,3,4,7,22,18,2,13,23,6,28,5,14,12,10,15,20,8,29,17,9,19,11,21,16/rA:30nCCCCCCCBrNCOCCCCSNCNCOCCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s13;d14;s12s15;s15;d17;s18;s14s19;d20;s19;s22;s23;d24;s25;d26;d23s27;s28;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17BrFN3O2S
All Atoms:47
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.5713
Area:621.687
Solvation:-3.9709
Coulombic:-47.9717
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:486.358
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.0
LogP (Chemaxon):4.76

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