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Chemical ID: 5806954
Chemical ID:
5806954
Name [?]:
None
SMILES [?]:
CCCn1c2ccccc2c3c1nc(nn3)SCC(=O)N4CCCCC4
InChi [?]:
InChI=1/C19H23N5OS/c1-2-10-24-15-9-5-4-8-14(15)17-18(24)20-19(22-21-17)26-13-16(25)23-11-6-3-7-12-23/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,24,8,7,23,25,9,6,3,22,26,18,10,5,19,11,12,14,13,16,15,21,4,20,17/E:(6,7)(11,12)/rA:26nCCCNCCCCCCCCNCNNSCCONCCCCC/rB:s1;s2;s3;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: | 12.1737 |
Area: | 588.967 |
Solvation: | -2.55048 |
Coulombic: | -35.4397 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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