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Chemical ID: 5583986
Chemical ID:
5583986
Name [?]:
None
SMILES [?]:
Cc1csc(n1)NC(=O)COc2ccc3c(c2)oc(=O)c4c3CCC4
InChi [?]:
InChI=1/C18H16N2O4S/c1-10-9-25-18(19-10)20-16(21)8-23-11-5-6-13-12-3-2-4-14(12)17(22)24-15(13)7-11/h5-7,9H,2-4,8H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,13,14,17,10,3,2,12,22,15,21,16,8,19,5,6,7,9,20,11,18,4/rA:25nCCCSCNNCOCOCCCCCCOCOCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s15d21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.95824 |
Area: | 550.188 |
Solvation: | -5.79647 |
Coulombic: | -50.323 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.07 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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