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Chemical ID: 7697316
Chemical ID:
7697316
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-3-24-16-10-6-14(7-11-16)20-19-21-18(22)17(25-19)12-13-4-8-15(23-2)9-5-13/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,18,22,6,8,19,21,5,9,16,17,7,20,4,15,13,11,10,12,14,23,3,25/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.84801 |
Area: | 570.68 |
Solvation: | -4.41899 |
Coulombic: | -43.866 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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