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Chemical ID: 5806953
Chemical ID:
5806953
Name [?]:
None
SMILES [?]:
CC(C)n1c2ccccc2c3c1nc(nn3)SCC(=O)N4CCCCC4
InChi [?]:
InChI=1/C19H23N5OS/c1-13(2)24-15-9-5-4-8-14(15)17-18(24)20-19(22-21-17)26-12-16(25)23-10-6-3-7-11-23/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,8,7,23,25,9,6,22,26,18,2,10,5,19,11,12,14,13,16,15,21,4,20,17/E:(1,2)(6,7)(10,11)/rA:26nCCCNCCCCCCCCNCNNSCCONCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N5OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0499 |
Area: | 581.214 |
Solvation: | -2.48042 |
Coulombic: | -35.2072 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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