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Chemical ID: 7727403
Chemical ID:
7727403
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSc2nc3c(c(=O)n2CC)SCC3
InChi [?]:
InChI=1/C18H21N3O2S2/c1-3-12-5-7-13(8-6-12)19-15(22)11-25-18-20-14-9-10-24-16(14)17(23)21(18)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,4,8,5,7,25,24,12,3,6,16,10,17,18,14,9,15,20,11,19,23,13/E:(5,6)(7,8)/rA:25nCCCCCCCCNCOCSCNCCCONCCSCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s17;d18;s14s18;s20;s21;s17;s23;s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O2S2 |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.419 |
Area: | 591.08 |
Solvation: | -3.35797 |
Coulombic: | -43.6036 |
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: | 2.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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