Chemical ID: 7656957

Cc1ccccc1c2nnc(s2)NC(=O)CCc3ccccc3
Chemical ID:
7656957
Name [?]:
None
SMILES [?]:
Cc1ccccc1c2nnc(s2)NC(=O)CCc3ccccc3
InChi [?]:
InChI=1/C18H17N3OS/c1-13-7-5-6-10-15(13)17-20-21-18(23-17)19-16(22)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,4,5,3,19,23,6,17,16,2,18,7,14,8,11,13,9,10,15,12/E:(3,4)(8,9)/rA:23nCCCCCCCCNNCSNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3OS
All Atoms:40
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:10.6238
Area:543.138
Solvation:-2.95467
Coulombic:-27.1427
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.6
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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