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Chemical ID: 7667758
Chemical ID:
7667758
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)COc3cccc(c3)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-14-8-6-13(7-9-14)17-12-26-19(20-17)21-18(22)11-25-16-5-3-4-15(10-16)24-2/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,21,22,20,5,7,4,8,24,17,10,6,3,23,19,9,15,12,13,14,16,2,25,18,11/E:(6,7)(8,9)/rA:26nCOCCCCCCCCSCNNCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.61576 |
Area: | 599.306 |
Solvation: | -7.36688 |
Coulombic: | -47.6793 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.34 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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