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Chemical ID: 7696032
Chemical ID:
7696032
Name [?]:
None
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C20H18N2O4S/c1-3-26-19(24)14-6-8-15(9-7-14)21-20-22-18(23)17(27-20)12-13-4-10-16(25-2)11-5-13/h4-12H,3H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,2,20,24,7,11,8,10,21,23,18,19,6,9,22,17,15,4,13,12,14,16,5,25,3,27/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCOCOCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O4S |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3037 |
Area: | 614.673 |
Solvation: | -4.06311 |
Coulombic: | -56.5513 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.63 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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