Chemical ID: 5567722

c1ccc(cc1)CNC(=O)N=c2n-3c(ns2)Cc4c3cccc4
Chemical ID:
5567722
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNC(=O)N=c2n-3c(ns2)Cc4c3cccc4
InChi [?]:
InChI=1/C17H14N4OS/c22-16(18-11-12-6-2-1-3-7-12)19-17-21-14-9-5-4-8-13(14)10-15(21)20-23-17/h1-9H,10-11H2,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,21,3,5,23,20,17,7,4,18,19,14,9,12,8,11,15,13,10,16/E:(2,3)(6,7)/rA:23nCCCCCCCNCONCNCNSCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;w11;s12;s13;d14;s12s15;s14;s17;s13s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2306
Area:485.991
Solvation:-1.91914
Coulombic:-42.7028
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:322.385
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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