Chemical ID: 7657039

c1ccc(cc1)CCC(=O)Nc2nnc(s2)c3ccccc3
Chemical ID:
7657039
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2nnc(s2)c3ccccc3
InChi [?]:
InChI=1/C17H15N3OS/c21-15(12-11-13-7-3-1-4-8-13)18-17-20-19-16(22-17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,2,6,19,21,3,5,18,22,7,8,4,17,9,15,12,11,14,13,10,16/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCCONCNNCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3OS
All Atoms:37
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:10.2734
Area:530.137
Solvation:-2.98002
Coulombic:-27.2368
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.16
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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