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Chemical ID: 5241884
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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