Chemical ID: 5241884

c1ccc2c(c1)c3c(s2)c(=O)n(cn3)C4CCCCC4
Chemical ID:
5241884
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(s2)c(=O)n(cn3)C4CCCCC4
InChi [?]:
InChI=1/C16H16N2OS/c19-16-15-14(12-8-4-5-9-13(12)20-15)17-10-18(16)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:18,17,19,1,2,16,20,6,3,13,15,5,4,7,8,10,14,12,11,9/E:(2,3)(6,7)/rA:20nCCCCCCCCSCONCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;s12;s7d13;s12;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.86959
Area:456.131
Solvation:-1.53369
Coulombic:-24.451
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:284.377
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.36
LogP (Chemaxon):3.89

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Descriptor Annotations

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