Chemical ID: 4089872

Cc1ccc(cc1)C2=NNC3(S2)c4cc(ccc4NC3=O)C
Chemical ID:
4089872
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2=NNC3(S2)c4cc(ccc4NC3=O)C
InChi [?]:
InChI=1/C17H15N3OS/c1-10-3-6-12(7-4-10)15-19-20-17(22-15)13-9-11(2)5-8-14(13)18-16(17)21/h3-9,20H,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,16,4,6,17,14,2,15,5,13,18,8,20,11,19,9,10,21,12/E:(3,4)(6,7)/rA:22cCCCCCCCCNNCSCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8s11;s11;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.2102
Area:497.296
Solvation:-2.22219
Coulombic:-35.9809
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:309.387
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):4.91

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Descriptor Annotations

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