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Chemical ID: 7727413
Chemical ID:
7727413
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)OC)CCS2
InChi [?]:
InChI=1/C17H19N3O3S2/c1-3-20-16(22)15-13(8-9-24-15)19-17(20)25-10-14(21)18-11-4-6-12(23-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,16,20,17,19,23,24,11,15,18,7,12,6,4,9,14,8,3,13,5,21,25,10/E:(4,5)(6,7)/rA:25nCCNCOCCNCSCCONCCCCCCOCCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s7;s23;s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O3S2 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.85778 |
Area: | 579.268 |
Solvation: | -4.62393 |
Coulombic: | -49.6614 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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