Chemical ID: 6767127

Cc1cc(ccc1NC(=O)c2c(c3c(s2)ncn(c3=O)Cc4ccccc4F)C)Cl
Chemical ID:
6767127
Name [?]:
N-(4-chloro-2-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 [?]:
Cc1cc(ccc1NC(=O)c2c(c3c(s2)ncn(c3=O)Cc4ccccc4F)C)Cl
InChi [?]:
InChI=1/C22H17ClFN3O2S/c1-12-9-15(23)7-8-17(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:1,29,24,25,23,26,5,6,3,21,17,2,12,22,4,27,7,13,11,9,14,19,30,28,16,8,18,10,20,15/rA:30nCCCCCCCNCOCCCCSNCNCOCCCCCCCFCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s14;d16;s17;s13s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s27;s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClFN3O2S
All Atoms:47
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.5162
Area:624.754
Solvation:-4.10262
Coulombic:-47.9302
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:441.906
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.61
LogP (Chemaxon):4.48

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Descriptor Annotations

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