Chemical ID: 6883337

Cc1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4cccc(c4)Cl
Chemical ID:
6883337
Name [?]:
N-(3-chlorophenyl)-2-[5-oxo-7-(p-tolyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4cccc(c4)Cl
InChi [?]:
InChI=1/C21H16ClN3O2S/c1-13-5-7-14(8-6-13)17-11-28-20-19(17)21(27)25(12-23-20)10-18(26)24-16-4-2-3-15(22)9-16/h2-9,11-12H,10H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,25,23,3,7,4,6,27,18,9,16,2,5,26,22,8,19,12,11,13,28,17,21,15,20,14,10/E:(5,6)(7,8)/rA:28nCCCCCCCCCSCCCONCNCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s12;d13;s13;s15;s11d16;s15;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16ClN3O2S
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4455
Area:607.337
Solvation:-3.73792
Coulombic:-43.6855
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:409.889
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.84
LogP (Chemaxon):4.71

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Descriptor Annotations

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