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Chemical ID: 7727320
Chemical ID:
7727320
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(nc1SCC(=O)N3CCCCC3)CCS2
InChi [?]:
InChI=1/C14H19N3O2S2/c1-16-13(19)12-10(5-8-20-12)15-14(16)21-9-11(18)17-6-3-2-4-7-17/h2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,19,14,18,20,10,6,11,5,3,8,7,2,13,12,4,21,9/E:(3,4)(6,7)/rA:21nCNCOCCNCSCCONCCCCCCCS/rB:s1;s2;d3;s3;d5;s6;s2d7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s6;s19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3O2S2 |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.47589 |
Area: | 504.946 |
Solvation: | -3.14775 |
Coulombic: | -38.2799 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.6 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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