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Chemical ID: 7727345
Chemical ID:
7727345
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)OC)CCS2
InChi [?]:
InChI=1/C16H17N3O3S2/c1-19-15(21)14-12(7-8-23-14)18-16(19)24-9-13(20)17-10-3-5-11(22-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,21,15,19,16,18,22,23,10,14,17,6,11,5,3,8,13,7,2,12,4,20,24,9/E:(3,4)(5,6)/rA:24nCNCOCCNCSCCONCCCCCCOCCCS/rB:s1;s2;d3;s3;d5;s6;s2d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s6;s22;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O3S2 |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.30011 |
Area: | 558.596 |
Solvation: | -4.66479 |
Coulombic: | -49.3694 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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