Chemical ID: 4090400

Cc1ccc(cc1)C2=NNC3(S2)c4ccccc4N(C3=O)C
Chemical ID:
4090400
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2=NNC3(S2)c4ccccc4N(C3=O)C
InChi [?]:
InChI=1/C17H15N3OS/c1-11-7-9-12(10-8-11)15-18-19-17(22-15)13-5-3-4-6-14(13)20(2)16(17)21/h3-10,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,15,16,14,17,3,7,4,6,2,5,13,18,8,20,11,9,10,19,21,12/E:(7,8)(9,10)/rA:22cCCCCCCCCNNCSCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8s11;s11;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.1131
Area:494.181
Solvation:-2.24144
Coulombic:-31.8864
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:309.387
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.76
LogP (Chemaxon):4.21

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