Chemical ID: 6767124

Cc1c2c(ncn(c2=O)Cc3ccccc3F)sc1C(=O)Nc4ccccc4Cl
Chemical ID:
6767124
Name [?]:
N-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxamide
SMILES [?]:
Cc1c2c(ncn(c2=O)Cc3ccccc3F)sc1C(=O)Nc4ccccc4Cl
InChi [?]:
InChI=1/C21H15ClFN3O2S/c1-12-17-20(29-18(12)19(27)25-16-9-5-3-7-14(16)22)24-11-26(21(17)28)10-13-6-2-4-8-15(13)23/h2-9,11H,10H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,13,26,14,25,12,27,15,24,10,6,2,11,28,16,23,3,19,20,4,8,29,17,5,22,7,21,9,18/rA:29nCCCCNCNCOCCCCCCCFSCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;s11;d12;s13;d14;d11s15;s16;s4;d2s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15ClFN3O2S
All Atoms:44
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.0168
Area:599.46
Solvation:-3.96965
Coulombic:-48.6303
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:427.88
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.39
LogP (Chemaxon):4.02

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